705 files changed, 117615 insertions, 0 deletions

diff --git a/src/main/Simulator/BinaryEnvelopes.mo b/src/main/Simulator/BinaryEnvelopes.mo
new file mode 100644
index 0000000..590888d
--- /dev/null
+++ b/src/main/Simulator/BinaryEnvelopes.mo
@@ -0,0 +1,23 @@
+package BinaryEnvelopes
+  model NRTL
+    parameter Integer Nc;  
+    parameter Integer data_points;
+    parameter Real BIP[Nc, Nc, 2] = Simulator.Files.ThermodynamicFunctions.BIPNRTL(Nc, comp.CAS);
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties comp[Nc];
+    Simulator.BinaryPhaseEnvelope.BinaryPhaseEnvelopeNRTL.base points[data_points](each Nc = Nc, each comp = comp, each BIP = BIP);
+    Real x[data_points, Nc], y[data_points, Nc], P[data_points], T[data_points];
+  equation
+    points[:].x = x;
+    points[:].y = y;
+    points[:].P = P;
+    points[:].T = T;
+    for i in 1:data_points loop
+      x[i, 1] = 0 + (i - 1) * 1/(data_points-1);
+    end for; 
+  end NRTL;
+
+
+
+
+
+end BinaryEnvelopes;
diff --git a/src/main/Simulator/Databases/Databases.py b/src/main/Simulator/Databases/Databases.py
new file mode 100644
index 0000000..f6e6584
--- /dev/null
+++ b/src/main/Simulator/Databases/Databases.py
@@ -0,0 +1,434 @@
+# -*- coding: utf-8 -*-
+"""
+Created on Wed Dec 25 17:41:56 2019
+
+@author: Eshika Mahajan
+"""
+
+import xml.dom.minidom
+import os
+current = os.path.dirname(os.path.realpath(__file__))
+DOMTree = xml.dom.minidom.parse(current+"/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.ChemsepDatabase.GeneralProperties(')
+                #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
diff --git a/src/main/Simulator/Databases/__pycache__/Databases.cpython-36.pyc b/src/main/Simulator/Databases/__pycache__/Databases.cpython-36.pyc
new file mode 100644
index 0000000..fd10705
--- /dev/null
+++ b/src/main/Simulator/Databases/__pycache__/Databases.cpython-36.pyc
diff --git a/src/main/Simulator/Databases/__pycache__/Databases.cpython-37.pyc b/src/main/Simulator/Databases/__pycache__/Databases.cpython-37.pyc
new file mode 100644
index 0000000..861284c
--- /dev/null
+++ b/src/main/Simulator/Databases/__pycache__/Databases.cpython-37.pyc
diff --git a/src/main/Simulator/Databases/chemsep1.xml b/src/main/Simulator/Databases/chemsep1.xml
new file mode 100644
index 0000000..547e246
--- /dev/null
+++ b/src/main/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/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopeNRTL.mo b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopeNRTL.mo
new file mode 100644
index 0000000..212e013
--- /dev/null
+++ b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopeNRTL.mo
@@ -0,0 +1,96 @@
+within Simulator.BinaryPhaseEnvelope;
+
+package BinaryPhaseEnvelopeNRTL
+  extends Modelica.Icons.ExamplesPackage;
+  model NRTLmodel
+    import Simulator.Files.ThermodynamicFunctions.*;
+    gammaNRTLmodel Gamma(Nc = Nc, comp = comp, molFrac = x[:], T = T);
+    Real density[Nc], BIPS[Nc, Nc, 2];
+  equation
+    gamma = Gamma.gamma;
+    BIPS = Gamma.BIPS;
+    for i in 1:Nc loop
+      density[i] = Dens(comp[i].LiqDen, comp[i].Tc, T, P);
+    end for;
+    for i in 1:Nc loop
+      K[i] = gamma[i] * Psat(comp[i].VP, T) / P;
+    end for;
+  end NRTLmodel;
+
+  model gammaNRTLmodel
+    parameter Integer Nc;
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties comp[Nc];
+    Real molFrac[Nc], T;
+    Real gamma[Nc];
+    Real tau[Nc, Nc], G[Nc, Nc], alpha[Nc, Nc], A[Nc, Nc], BIPS[Nc, Nc, 2];
+    Real sum1[Nc], sum2[Nc];
+    constant Real R = 1.98721;
+  equation
+    A = BIPS[:, :, 1];
+    alpha = BIPS[:, :, 2];
+    tau = A ./ (R * T);
+    for i in 1:Nc loop
+      for j in 1:Nc loop
+        G[i, j] = exp(-alpha[i, j] * tau[i, j]);
+      end for;
+    end for;
+    for i in 1:Nc loop
+      sum1[i] = sum(molFrac[:] .* G[:, i]);
+      sum2[i] = sum(molFrac[:] .* tau[:, i] .* G[:, i]);
+    end for;
+    for i in 1:Nc loop
+      log(gamma[i]) = sum(molFrac[:] .* tau[:, i] .* G[:, i]) / sum(molFrac[:] .* G[:, i]) + sum(molFrac[:] .* G[i, :] ./ sum1[:] .* (tau[i, :] .- sum2[:] ./ sum1[:]));
+    end for;
+  end gammaNRTLmodel;
+
+  model base
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter Integer Nc;
+    parameter Real BIP[Nc, Nc, 2];
+    parameter data.GeneralProperties comp[Nc];
+    extends NRTLmodel(BIPS = BIP);
+    Real P, T(start = 300), gamma[Nc], K[Nc], x[Nc](each start = 0.5), y[Nc];
+  equation
+    y[:] = K[:] .* x[:];
+    sum(x[:]) = 1;
+    sum(y[:]) = 1;
+  end base;
+
+  model OnehexeneAcetoneTxy
+    extends Modelica.Icons.Example;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Onehexene ohex;
+    parameter data.Acetone acet;
+    parameter Integer Nc = 2;
+    parameter Real BIP[Nc, Nc, 2] = Simulator.Files.ThermodynamicFunctions.BIPNRTL(Nc, comp.CAS);
+    parameter data.GeneralProperties comp[Nc] = {ohex, acet};
+    base points[41](each P = 1013250, each Nc = Nc, each comp = comp, each BIP = BIP);
+    Real x[41, Nc], y[41, Nc], T[41];
+  equation
+    points[:].x = x;
+    points[:].y = y;
+    points[:].T = T;
+    for i in 1:41 loop
+      x[i, 1] = 0 + (i - 1) * 0.025;
+    end for;
+  end OnehexeneAcetoneTxy;
+
+  model OnehexeneAcetonePxy
+    extends Modelica.Icons.Example;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Onehexene ohex;
+    parameter data.Acetone acet;
+    parameter Integer Nc = 2;
+    parameter Real BIP[Nc, Nc, 2] = Simulator.Files.ThermodynamicFunctions.BIPNRTL(Nc, comp.CAS);
+    parameter data.GeneralProperties comp[Nc] = {ohex, acet};
+    base points[41](each T = 424, each Nc = Nc, each comp = comp, each BIP = BIP);
+    Real x[41, Nc], y[41, Nc], P[41];
+  equation
+    points[:].x = x;
+    points[:].y = y;
+    points[:].P = P;
+    for i in 1:41 loop
+      x[i, 1] = 0 + (i - 1) * 0.025;
+    end for;
+  end OnehexeneAcetonePxy;
+end BinaryPhaseEnvelopeNRTL;
diff --git a/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopePR.mo b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopePR.mo
new file mode 100644
index 0000000..be47c1c
--- /dev/null
+++ b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopePR.mo
@@ -0,0 +1,170 @@
+within Simulator.BinaryPhaseEnvelope;
+
+package BinaryPhaseEnvelopePR
+  extends Modelica.Icons.ExamplesPackage;
+  function CompresseblityFactor
+    extends Modelica.Icons.Function;
+    input Real b[Nc];
+    input Real aij[Nc, Nc];
+    input Real P;
+    input Real T;
+    input Integer Nc;
+    input Real m[Nc];
+    output Real am;
+    output Real bm;
+    output Real A;
+    output Real B;
+    output Real Z[3];
+  protected
+    Real R = 8.314;
+    Real C[4];
+    Real ZR[3, 2];
+  algorithm
+    am := sum({{m[i] * m[j] * aij[i, j] for i in 1:Nc} for j in 1:Nc});
+    bm := sum(b .* m);
+    A := am * P / (R * T) ^ 2;
+    B := bm * P / (R * T);
+    C[1] := 1;
+    C[2] := B - 1;
+    C[3] := A - 3 * B ^ 2 - 2 * B;
+    C[4] := B ^ 3 + B ^ 2 - A * B;
+    ZR := Modelica.Math.Vectors.Utilities.roots(C);
+    Z := {ZR[i, 1] for i in 1:3};
+  end CompresseblityFactor;
+
+  model PR
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties comp[Nc];
+    parameter Integer Nc;
+    parameter Real R = 8.314;
+    parameter Real kij[Nc, Nc] = Simulator.Files.ThermodynamicFunctions.BIPPR(Nc, comp.name);
+    Real Tr[Nc];
+    Real b[Nc];
+    Real m[Nc];
+    Real q[Nc];
+    Real a[Nc];
+    Real aij[Nc, Nc];
+    Real amL, bmL;
+    Real AL, BL, Z_L[3];
+    Real ZL;
+    Real sum_xa[Nc];
+    Real liqfugcoeff[Nc];
+    Real amV, bmV;
+    Real AV, BV, Z_V[3];
+    Real ZV;
+    Real sum_ya[Nc];
+    Real vapfugcoeff[Nc];
+    Real P;
+    Real T(start = 273);
+    Real Psat[Nc];
+    //Bubble and Dew Point Calculation
+    Real Tr_bubl[Nc];
+    Real a_bubl[Nc];
+    Real aij_bubl[Nc, Nc];
+    Real Psat_bubl[Nc];
+    Real amL_bubl, bmL_bubl;
+    Real AL_bubl, BL_bubl, Z_L_bubl[3];
+    Real ZL_bubl;
+    Real sum_xa_bubl[Nc];
+    Real liqfugcoeff_bubl[Nc];
+    Real gammaBubl[Nc];
+    Real Tbubl(start = 273);
+  equation
+    for i in 1:Nc loop
+      Psat_bubl[i] = Simulator.Files.ThermodynamicFunctions.Psat(comp[i].VP, Tbubl);
+      Psat[i] = Simulator.Files.ThermodynamicFunctions.Psat(comp[i].VP, T);
+    end for;
+//Bubble Point and Dew Point Calculation Routine
+    Tr_bubl = Tbubl ./ comp.Tc;
+    a_bubl = q .* (1 .+ m .* (1 .- sqrt(Tr_bubl))) .^ 2;
+    aij_bubl = {{(1 - kij[i, j]) * sqrt(a_bubl[i] * a_bubl[j]) for i in 1:Nc} for j in 1:Nc};
+    (amL_bubl, bmL_bubl, AL_bubl, BL_bubl, Z_L_bubl) = CompresseblityFactor(b, aij_bubl, P, Tbubl, Nc, x[:]);
+    ZL_bubl = min({Z_L_bubl});
+    sum_xa_bubl = {sum({x[j] * aij_bubl[i, j] for j in 1:Nc}) for i in 1:Nc};
+    liqfugcoeff_bubl = exp(AL_bubl / (BL_bubl * sqrt(8)) * log((ZL_bubl + 2.4142135 * BL_bubl) / (ZL_bubl - 0.414213 * BL_bubl)) .* (b / bmL_bubl .- 2 * sum_xa_bubl / amL_bubl) .+ (ZL_bubl - 1) * (b / bmL_bubl) .- log(ZL_bubl - BL_bubl));
+    liqfugcoeff_bubl[:] = gammaBubl[:] .* P ./ Psat_bubl[:];
+    P = sum(gammaBubl[:] .* x[:] .* exp(comp[:].VP[2] + comp[:].VP[3] / Tbubl + comp[:].VP[4] * log(Tbubl) + comp[:].VP[5] .* Tbubl .^ comp[:].VP[6]) ./ liqfugcoeff_bubl[:]);
+//Calculation of Temperatures at different compositions
+    Tr = T ./ comp.Tc;
+    b = 0.0778 * R * comp.Tc ./ comp.Pc;
+    m = 0.37464 .+ 1.54226 * comp.AF .- 0.26992 * comp.AF .^ 2;
+    q = 0.45724 * R ^ 2 * comp.Tc .^ 2 ./ comp.Pc;
+    a = q .* (1 .+ m .* (1 .- sqrt(Tr))) .^ 2;
+    aij = {{(1 - kij[i, j]) * sqrt(a[i] * a[j]) for i in 1:Nc} for j in 1:Nc};
+//Liquid Phase Calculation Routine
+    (amL, bmL, AL, BL, Z_L) = CompresseblityFactor(b, aij, P, T, Nc, x[:]);
+    ZL = min({Z_L});
+    sum_xa = {sum({x[j] * aij[i, j] for j in 1:Nc}) for i in 1:Nc};
+    liqfugcoeff = exp(AL / (BL * sqrt(8)) * log((ZL + 2.4142135 * BL) / (ZL - 0.414213 * BL)) .* (b / bmL .- 2 * sum_xa / amL) .+ (ZL - 1) * (b / bmL) .- log(ZL - BL));
+//Vapour Phase Calculation Routine
+    (amV, bmV, AV, BV, Z_V) = CompresseblityFactor(b, aij, P, T, Nc, y[:]);
+    ZV = max({Z_V});
+    sum_ya = {sum({y[j] * aij[i, j] for j in 1:Nc}) for i in 1:Nc};
+    vapfugcoeff = exp(AV / (BV * sqrt(8)) * log((ZV + 2.4142135 * BV) / (ZV - 0.414213 * BV)) .* (b / bmV .- 2 * sum_ya / amV) .+ (ZV - 1) * (b / bmV) .- log(ZV - BV));
+  end PR;
+
+  model PhaseEquilibria
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Ethane eth;
+    parameter data.Propane prop;
+    extends PR(Nc = 2, comp = {eth, prop});
+    Real P, T(start = 273), K[Nc], x[Nc](each start = 0.5), y[Nc], Tbubl(start = 273);
+  equation
+    K[:] = liqfugcoeff[:] ./ vapfugcoeff[:];
+    y[:] = K[:] .* x[:];
+    sum(x[:]) = 1;
+    sum(y[:]) = 1;
+  end PhaseEquilibria;
+
+  model PengRobinsonPxy
+    extends Modelica.Icons.Example;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Ethane eth;
+    parameter data.Propane prop;
+    parameter Integer Nc = 2;
+    parameter Integer N = 2;
+    parameter data.GeneralProperties comp[Nc] = {eth, prop};
+    PhaseEquilibria points[N](each T = 210, each Nc = Nc, each comp = comp, each T(start = 273), each Tbubl(start = 273), each x(each start = 0.5), each y(each start = 0.5));
+    Real x1[N], y1[N], x2[N], y2[N], P[N](each start = 101325), Tbubl[N], Temp[N];
+  equation
+//Generation of Points to compute Bubble Temperature
+    points[:].x[1] = x1[:];
+    points[:].y[1] = y1[:];
+    points[:].x[2] = x2[:];
+    points[:].y[2] = y2[:];
+    points[:].P = P;
+    points[:].Tbubl = Tbubl;
+    Temp[1] = Tbubl[1];
+    Temp[N] = Tbubl[N];
+    for i in 2:N - 1 loop
+      Temp[i] = points[i].T;
+    end for;
+    for i in 1:N loop
+      x1[i] = 0.5 + (i - 1) * 0.025;
+    end for;
+  end PengRobinsonPxy;
+
+  model PengRobinsonTxy
+    extends Modelica.Icons.Example;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Ethane eth;
+    parameter data.Propane prop;
+    parameter Integer Nc = 2;
+    parameter Integer N = 10;
+    parameter data.GeneralProperties comp[Nc] = {eth, prop};
+    PhaseEquilibria points[N](each P = 101325, each Nc = Nc, each comp = comp, each T(start = 273), each Tbubl(start = 273), each x(each start = 0.5), each y(each start = 0.5));
+    Real x[N, Nc], y[N, Nc], T[N], Tbubl[N], T_PR[N];
+  equation
+    points[:].x = x;
+    points[:].y = y;
+    points[:].T = T;
+    points[:].Tbubl = Tbubl;
+    T_PR[1] = Tbubl[1];
+    T_PR[N] = Tbubl[N];
+    for i in 2:N - 1 loop
+      T_PR[i] = T[i];
+    end for;
+    for i in 1:N loop
+      x[i, 1] = 0 + (i - 1) * 0.025;
+    end for;
+  end PengRobinsonTxy;
+end BinaryPhaseEnvelopePR;
diff --git a/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopeUNIFAC.mo b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopeUNIFAC.mo
new file mode 100644
index 0000000..ba6ab71
--- /dev/null
+++ b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopeUNIFAC.mo
@@ -0,0 +1,267 @@
+within Simulator.BinaryPhaseEnvelope;
+
+package BinaryPhaseEnvelopeUNIFAC
+    extends Modelica.Icons.ExamplesPackage;
+  model PxyUNIFAC
+    extends Modelica.Icons.Example;
+  //Libraries
+    import Simulator.*;
+    //Extension of Chemsep Database
+    Simulator.Files.ChemsepDatabase data;
+    //Parameter Section
+    //Selection of compounds
+    parameter data.Methylethylketone meth;
+    parameter data.Aceticacid eth;
+    //Instantiation of selected compounds
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties comp[Nc] = {meth, eth};
+    parameter Integer Nc = 2 "Number of components";
+    parameter Integer Choice = 1 "System choice of Txy or Pxy";
+    parameter Real T(unit = "K") = 375 "System Temperature";
+    parameter Integer N = 40 "Number of points of data generation";
+    parameter Integer m = 4 "Interaction parameter index";
+    parameter Integer k = 4 "Number of Functional groups present in the compound";
+    parameter Real a[m, k] = {{0, 0, 476.4, 663.5}, {0, 0, 476.4, 663.5}, {26.76, 26.76, 0, 669.4}, {315.3, 315.3, -297.8, 0}} "Binary  intraction parameter";
+    parameter Real V[Nc, k] = {{1, 1, 1, 0}, {1, 0, 0, 1}} "Number of group of kind k in molecule ";
+    parameter Real R[Nc, k] = {{0.9011, 0.6744, 1.6724, 0.0}, {0.9011, 0, 0, 1.3013}} "Group volume of group k ";
+    parameter Real Q[Nc, k] = {{0.848, 0.540, 1.448, 0}, {0.848, 0, 0, 1.224}} "Group surface area of group k";
+    //Gas constant
+    parameter Real R_gas = 1.98721;
+    //Variable Section
+    Real delta "Increment step";
+    Real e[k, Nc];
+    Real B[Nc, k];
+    Real q[Nc] "Van der waal molecular surface area";
+    Real r[Nc] "Van der waal molecular volume";
+    Real tow[m, k] "Empherical Parameter (tow) at the system temperature";
+    //Mole Fractions (x-axis) of the P-x-y plot
+    Real z1[N + 1], z2[N + 1];
+    //Intermediate parameters used to calculate the Combinatorial contribution"
+    Real J1_bubl[N + 1], J2_bubl[N + 1];
+    Real L1_bubl[N + 1], L2_bubl[N + 1];
+    Real gammac1_bubl[N + 1], gammac2_bubl[N + 1];
+    //Intermediate parameters used to calculate the Residual contribution"
+    Real teta1_bubl[N + 1, k];
+    Real S1_bubl[N + 1, k];
+    Real sum1_bubl[N + 1, k], sum2_bubl[N + 1, k];
+    Real sum_bubl[N + 1], summ_bubl[N + 1];
+    Real gammar1_bubl[N + 1], gammar2_bubl[N + 1];
+    //Activity coefficients at different Pressures
+    Real gammaBubl1[N + 1](each start = 0.5), gammaBubl2[N + 1];
+    //Bubble Pressure
+    Real P[N + 1](each unit = "Pa", each start = 117018);
+    //Distribution coefficient
+    Real K1[N + 1];
+    //Vapour Phase Mole Fraction
+    Real y1[N + 1](each start = 0.5), y2[N + 1](each start = 0.5);
+    //Vapour Pressure at the chosen temperature
+    Real Psat[Nc](each unit = "Pa") "Vapour Pressure";
+    //===========================================================================================
+    //Equation Section
+  equation
+//Calculation of Vapour Pressure at the input temperature
+//Thermodynamic Function Psat is instantiated from Simulator Package
+    for i in 1:Nc loop
+      Psat[i] = Simulator.Files.ThermodynamicFunctions.Psat(comp[i].VP, T);
+    end for;
+//Calculation of increment step for the total number of points
+    delta = 1 / N;
+//Calculation of Unifac parameter R and Q for the induvidual compounds
+    for i in 1:Nc loop
+      for j in 1:k loop
+        B[i, j] = sum(e[:, i] .* tow[:, j]);
+      end for;
+    end for;
+    for i in 1:Nc loop
+      r[i] = sum(V[i, :] .* R[i, :]);
+      q[i] = sum(V[i, :] .* Q[i, :]);
+      e[:, i] = V[i, :] .* Q[i, :] / q[i];
+    end for;
+//Calculation of Empherical parameter (tow) at the system temperature
+    for i in 1:m loop
+      tow[i, :] = exp((-a[i, :]) / T);
+    end for;
+//Generation of mole fraction from 0 to 1 in steps of "delta"
+    z1[1] = 0;
+    for i in 2:N + 1 loop
+      z1[i] = z1[i - 1] + delta;
+    end for;
+    for i in 1:N + 1 loop
+      z2[i] = 1 - z1[i];
+    end for;
+//Calculation of combinatorial contribution parameter used to compute activity coefficient at the corresponding compositions
+    for i in 1:N + 1 loop
+      J1_bubl[i] = r[1] / (r[1] * z1[i] + r[2] * z2[i]);
+      J2_bubl[i] = r[2] / (r[1] * z1[i] + r[2] * z2[i]);
+      L1_bubl[i] = q[1] / (q[1] * z1[i] + q[2] * z2[i]);
+      L2_bubl[i] = q[2] / (q[1] * z1[i] + q[2] * z2[i]);
+      gammac1_bubl[i] = exp(1 - J1_bubl[i] + log(J1_bubl[i]) + (-5 * q[1] * (1 - J1_bubl[i] / L1_bubl[i] + log(J1_bubl[i] / L1_bubl[i]))));
+      gammac2_bubl[i] = exp(1 - J2_bubl[i] + log(J2_bubl[i]) + (-5 * q[2] * (1 - J2_bubl[i] / L2_bubl[i] + log(J2_bubl[i] / L2_bubl[i]))));
+    end for;
+//Calculation of residual contribution parameter used to compute activity coefficient at the corresponding compositions
+    for i in 1:N + 1 loop
+      teta1_bubl[i, :] = (z1[i] * q[1] .* e[:, 1] + z2[i] * q[2] .* e[:, 2]) / (z1[i] * q[1] + z2[i] * q[2]);
+    end for;
+    for i in 1:N + 1 loop
+      for j in 1:k loop
+        S1_bubl[i, j] = sum(teta1_bubl[i, :] .* tow[:, j]);
+        sum1_bubl[i, j] = teta1_bubl[i, j] * B[1, j] / S1_bubl[i, j] - e[j, 1] * log(B[1, j] / S1_bubl[i, j]);
+        sum2_bubl[i, j] = teta1_bubl[i, j] * B[2, j] / S1_bubl[i, j] - e[j, 2] * log(B[2, j] / S1_bubl[i, j]);
+      end for;
+    end for;
+    for i in 1:N + 1 loop
+      gammar1_bubl[i] = exp(q[1] * (1 - sum_bubl[i]));
+      gammar2_bubl[i] = exp(q[2] * (1 - summ_bubl[i]));
+      sum_bubl[i] = sum(sum1_bubl[i, :]);
+      summ_bubl[i] = sum(sum2_bubl[i, :]);
+      gammaBubl1[i] = exp(log(gammac1_bubl[i]) + log(gammar1_bubl[i]));
+      gammaBubl2[i] = exp(log(gammac2_bubl[i]) + log(gammar2_bubl[i]));
+    end for;
+//Bubble point calculation
+    for i in 1:N + 1 loop
+      P[i] = gammaBubl1[i] * z1[i] * exp(comp[1].VP[2] + comp[1].VP[3] / T + comp[1].VP[4] * log(T) + comp[1].VP[5] * T ^ comp[1].VP[6]) + gammaBubl2[i] * z2[i] * exp(comp[2].VP[2] + comp[2].VP[3] / T + comp[2].VP[4] * log(T) + comp[2].VP[5] * T ^ comp[2].VP[6]);
+    end for;
+//Phase Equilibria
+    for i in 1:N + 1 loop
+      K1[i] = gammaBubl1[i] * (Psat[1] / P[i]);
+      y1[i] = K1[i] * z1[i];
+      y2[i] = 1 - y1[i];
+    end for;
+  end PxyUNIFAC;
+
+  //====================================================================================================
+
+  model TxyUNIFAC
+    extends Modelica.Icons.Example;
+    //Libraries
+    import Simulator.*;
+    //Extension of Chemsep Database
+    Simulator.Files.ChemsepDatabase data;
+    //Parameter Section
+    //Selection of compounds
+    parameter data.Methylethylketone meth;
+    parameter data.Aceticacid eth;
+    //Instantiation of selected compounds
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties comp[Nc] = {meth, eth};
+    parameter Real Z = 10 "Compressiblity Factor";
+    parameter Integer Choice = 2 "System choice of Txy or Pxy";
+    parameter Integer Nc = 2 "Number of components";
+    parameter Real P(unit = "Pa") = 101325 "System Pressure";
+    parameter Integer N = 40 "Number of points of data generation";
+    parameter Integer m = 4 "Interaction parameter index", k = 4 "Number of Functional groups present in the compound";
+    parameter Real a[m, k] = {{0, 0, 476.4, 663.5}, {0, 0, 476.4, 663.5}, {26.76, 26.76, 0, 669.4}, {315.3, 315.3, -297.8, 0}} "Binary  intraction parameter";
+    parameter Real V[Nc, k] = {{1, 1, 1, 0}, {1, 0, 0, 1}} "number of group of kind k in molecule ";
+    parameter Real R[Nc, k] = {{0.9011, 0.6744, 1.6724, 0.0}, {0.9011, 0, 0, 1.3013}} "group volume of group k ";
+    parameter Real Q[Nc, k] = {{0.848, 0.540, 1.448, 0}, {0.848, 0, 0, 1.224}} "group surface area of group k";
+    //Gas constant
+    parameter Real R_gas = 1.98721;
+    //Variable Section
+    Real delta "Increment step";
+    Real e[k, Nc];
+    Real B[N + 1, Nc, k];
+    Real q[Nc] "van der walls molecular surface area";
+    Real r[Nc] "van der walls molecular volume";
+    //Empherical parameter (tow) at different temperatures
+    Real tow[N + 1, m, k];
+    //Intermediate parameters used to calculate the Combinatorial contribution"
+    Real J1_bubl[N + 1], J2_bubl[N + 1];
+    Real L1_bubl[N + 1], L2_bubl[N + 1];
+    Real gammac1_bubl[N + 1], gammac2_bubl[N + 1];
+    //Intermediate parameters used to calculate the Residual contribution"
+    Real teta1_bubl[N + 1, k];
+    Real S1_bubl[N + 1, k];
+    Real sum1_bubl[N + 1, k], sum2_bubl[N + 1, k];
+    Real sum_bubl[N + 1], summ_bubl[N + 1];
+    Real gammar1_bubl[N + 1], gammar2_bubl[N + 1];
+    //Activity coefficients at different Temperatures
+    Real gammaBubl1[N + 1](each start = 0.5), gammaBubl2[N + 1];
+    //Mole Fractions (x-axis) of the T-x-y plot
+    Real z1[N + 1], z2[N + 1];
+    //Bubble Temperature
+    Real T[N + 1](unit = "K", each start = 300);
+    //Distribution coefficient
+    Real K1[N + 1];
+    //Vapour Phase Mole Fraction
+    Real y1[N + 1](each start = 0.5), y2[N + 1](each start = 0.5);
+    //Vapour Pressure at the chosen temperature range
+    Real Psat[N + 1, 1];
+    //======================================================================================================
+  equation
+//Calculation of increment step for the total number of points
+    delta = 1 / N;
+//Calculation of vapour pressures at different temperatures
+    for i in 1:N + 1 loop
+      Psat[i, 1] = Simulator.Files.ThermodynamicFunctions.Psat(comp[1].VP, T[i]);
+    end for;
+//Generation of mole fraction from 0 to 1 in steps of "delta"
+    z1[1] = 0;
+    for i in 2:N + 1 loop
+      z1[i] = z1[i - 1] + delta;
+    end for;
+    for i in 1:N + 1 loop
+      z2[i] = 1 - z1[i];
+    end for;
+//Calculation of r and q for compounds
+    for l in 1:N + 1 loop
+      for i in 1:Nc loop
+        for j in 1:k loop
+          B[l, i, j] = sum(e[:, i] .* tow[l, :, j]);
+        end for;
+      end for;
+    end for;
+    for i in 1:Nc loop
+      r[i] = sum(V[i, :] .* R[i, :]);
+      q[i] = sum(V[i, :] .* Q[i, :]);
+      e[:, i] = V[i, :] .* Q[i, :] / q[i];
+    end for;
+//Empherical parameter (towk) is calculated at different temperatures in the T-x-y mode of operation
+    for j in 1:N + 1 loop
+      for i in 1:m loop
+        tow[j, i, :] = exp((-a[i, :]) / T[j]);
+      end for;
+    end for;
+//Calculation of combinatorial contribution parameter used to compute activity coefficient at the corresponding compositions
+    for i in 1:N + 1 loop
+      J1_bubl[i] = r[1] / (r[1] * z1[i] + r[2] * z2[i]);
+      J2_bubl[i] = r[2] / (r[1] * z1[i] + r[2] * z2[i]);
+      L1_bubl[i] = q[1] / (q[1] * z1[i] + q[2] * z2[i]);
+      L2_bubl[i] = q[2] / (q[1] * z1[i] + q[2] * z2[i]);
+      gammac1_bubl[i] = exp(1 - J1_bubl[i] + log(J1_bubl[i]) + (-5 * q[1] * (1 - J1_bubl[i] / L1_bubl[i] + log(J1_bubl[i] / L1_bubl[i]))));
+      gammac2_bubl[i] = exp(1 - J2_bubl[i] + log(J2_bubl[i]) + (-5 * q[2] * (1 - J2_bubl[i] / L2_bubl[i] + log(J2_bubl[i] / L2_bubl[i]))));
+    end for;
+//Calculation of residual contribution parameter used to compute activity coefficient at the corresponding compositions
+    for i in 1:N + 1 loop
+      teta1_bubl[i, :] = (z1[i] * q[1] .* e[:, 1] + z2[i] * q[2] .* e[:, 2]) / (z1[i] * q[1] + z2[i] * q[2]);
+    end for;
+    for i in 1:N + 1 loop
+      for j in 1:k loop
+        S1_bubl[i, j] = sum(teta1_bubl[i, :] .* tow[i, :, j]);
+      end for;
+    end for;
+    for i in 1:N + 1 loop
+      for j in 1:k loop
+        sum1_bubl[i, j] = teta1_bubl[i, j] * B[i, 1, j] / S1_bubl[i, j] - e[j, 1] * log(B[i, 1, j] / S1_bubl[i, j]);
+        sum2_bubl[i, j] = teta1_bubl[i, j] * B[i, 2, j] / S1_bubl[i, j] - e[j, 2] * log(B[i, 2, j] / S1_bubl[i, j]);
+      end for;
+    end for;
+    for i in 1:N + 1 loop
+      gammar1_bubl[i] = exp(q[1] * (1 - sum_bubl[i]));
+      gammar2_bubl[i] = exp(q[2] * (1 - summ_bubl[i]));
+      sum_bubl[i] = sum(sum1_bubl[i, :]);
+      summ_bubl[i] = sum(sum2_bubl[i, :]);
+      gammaBubl1[i] = exp(log(gammac1_bubl[i]) + log(gammar1_bubl[i]));
+      gammaBubl2[i] = exp(log(gammac2_bubl[i]) + log(gammar2_bubl[i]));
+    end for;
+//Bubble point calculation
+    for i in 1:N + 1 loop
+      P = gammaBubl1[i] * z1[i] * exp(comp[1].VP[2] + comp[1].VP[3] / T[i] + comp[1].VP[4] * log(T[i]) + comp[1].VP[5] * T[i] ^ comp[1].VP[6]) + gammaBubl2[i] * z2[i] * exp(comp[2].VP[2] + comp[2].VP[3] / T[i] + comp[2].VP[4] * log(T[i]) + comp[2].VP[5] * T[i] ^ comp[2].VP[6]);
+    end for;
+//Phase Equlibria
+    for i in 1:N + 1 loop
+      K1[i] = gammaBubl1[i] * (Psat[i, 1] / P);
+      y1[i] = K1[i] * z1[i];
+      y2[i] = 1 - y1[i];
+    end for;
+  end TxyUNIFAC;
+
+  //================================================================================================================
+end BinaryPhaseEnvelopeUNIFAC;
diff --git a/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopeUNIQUAC.mo b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopeUNIQUAC.mo
new file mode 100644
index 0000000..1679004
--- /dev/null
+++ b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/BinaryPhaseEnvelopeUNIQUAC.mo
@@ -0,0 +1,258 @@
+within Simulator.BinaryPhaseEnvelope;
+
+package BinaryPhaseEnvelopeUNIQUAC
+  extends Modelica.Icons.ExamplesPackage;
+  //==============================================================================================================
+
+  function GammaUNIQUAC
+  extends Modelica.Icons.Function;
+  input Integer Choice "Enter if choice of VLE curve is Pxy or Txy";
+    //Note : Choice = 1 = P-x-y-Envelope
+    //       Choice = 2 = T-x-y-Envelope
+    input Integer N "Number of data points", Nc "Total number of components";
+    input Real z1[N + 1], z2[N + 1];
+    input Real R[Nc], Q[Nc];
+    input Real tow[Nc, Nc];
+    input Real towk[N + 1, Nc, Nc];
+    parameter Real Z = 10 "Compresseblity Factor";
+    parameter Real R_gas = 1.98721 "Gas Constant";
+    //Activity coefficients
+    output Real gammaBubl1[N + 1], gammaBubl2[N + 1];
+  protected
+    //Intermediate parameters used to calculate the Combinatorial and Residual contribution"
+    Real r_bubl[N + 1], q_bubl[N + 1];
+    Real teta1_bubl[N + 1], teta2_bubl[N + 1];
+    Real S1_bubl[N + 1], S2_bubl[N + 1];
+    Real sum1_bubl[N + 1], sum2_bubl[N + 1];
+    //Residual contribution term of Activity coefficient
+    Real gammar1_bubl[N + 1], gammar2_bubl[N + 1];
+    //Cobinatorial contribution term of Activity coefficient
+    Real gammac1_bubl[N + 1], gammac2_bubl[N + 1];
+    //Empherical Parameter at different temperatures
+    Real toww[N, Nc, Nc];
+    //=========================================================================================
+  algorithm
+    for i in 1:N + 1 loop
+      r_bubl[i] := z1[i] * R[1] + z2[i] * R[2];
+      q_bubl[i] := z1[i] * Q[1] + z2[i] * Q[2];
+    end for;
+    if Choice == 1 then
+      for i in 1:N + 1 loop
+        teta1_bubl[i] := z1[i] * Q[1] * (1 / q_bubl[i]);
+        teta2_bubl[i] := z2[i] * Q[2] * (1 / q_bubl[i]);
+        S1_bubl[i] := teta1_bubl[i] * tow[1, 1] + teta2_bubl[i] * tow[1, 2];
+        S2_bubl[i] := teta1_bubl[i] * tow[2, 1] + teta2_bubl[i] * tow[2, 2];
+        sum1_bubl[i] := teta1_bubl[i] * (tow[1, 1] / S1_bubl[i]) + teta2_bubl[i] * (tow[1, 2] / S2_bubl[i]);
+        sum2_bubl[i] := teta1_bubl[i] * (tow[2, 1] / S1_bubl[i]) + teta2_bubl[i] * (tow[2, 2] / S2_bubl[i]);
+        gammar1_bubl[i] := exp(Q[1] * (1 - log(S1_bubl[i]) - sum1_bubl[i]));
+        gammar2_bubl[i] := exp(Q[2] * (1 - log(S2_bubl[i]) - sum2_bubl[i]));
+        gammac1_bubl[i] := exp(1 - R[1] / r_bubl[i] + log(R[1] / r_bubl[i]) + (-Z / 2 * Q[1] * (1 - R[1] / r_bubl[i] / (Q[1] / q_bubl[i]) + log(R[1] / r_bubl[i] / (Q[1] / q_bubl[i])))));
+        gammac2_bubl[i] := exp(1 - R[2] / r_bubl[i] + log(R[2] / r_bubl[i]) + (-Z / 2 * Q[2] * (1 - R[2] / r_bubl[i] / (Q[2] / q_bubl[i]) + log(R[2] / r_bubl[i] / (Q[2] / q_bubl[i])))));
+        gammaBubl1[i] := exp(log(gammac1_bubl[i]) + log(gammar1_bubl[i]));
+        gammaBubl2[i] := exp(log(gammac2_bubl[i]) + log(gammar2_bubl[i]));
+      end for;
+    else
+      for i in 1:N + 1 loop
+        teta1_bubl[i] := z1[i] * Q[1] * (1 / q_bubl[i]);
+        teta2_bubl[i] := z2[i] * Q[2] * (1 / q_bubl[i]);
+        S1_bubl[i] := teta1_bubl[i] * towk[i, 1, 1] + teta2_bubl[i] * towk[i, 1, 2];
+        S2_bubl[i] := teta1_bubl[i] * towk[i, 2, 1] + teta2_bubl[i] * towk[i, 2, 2];
+        sum1_bubl[i] := teta1_bubl[i] * (towk[i, 1, 1] / S1_bubl[i]) + teta2_bubl[i] * (towk[i, 1, 2] / S2_bubl[i]);
+        sum2_bubl[i] := teta1_bubl[i] * (towk[i, 2, 1] / S1_bubl[i]) + teta2_bubl[i] * (towk[i, 2, 2] / S2_bubl[i]);
+        gammar1_bubl[i] := exp(Q[1] * (1 - log(S1_bubl[i]) - sum1_bubl[i]));
+        gammar2_bubl[i] := exp(Q[2] * (1 - log(S2_bubl[i]) - sum2_bubl[i]));
+        gammac1_bubl[i] := exp(1 - R[1] / r_bubl[i] + log(R[1] / r_bubl[i]) + (-Z / 2 * Q[1] * (1 - R[1] / r_bubl[i] / (Q[1] / q_bubl[i]) + log(R[1] / r_bubl[i] / (Q[1] / q_bubl[i])))));
+        gammac2_bubl[i] := exp(1 - R[2] / r_bubl[i] + log(R[2] / r_bubl[i]) + (-Z / 2 * Q[2] * (1 - R[2] / r_bubl[i] / (Q[2] / q_bubl[i]) + log(R[2] / r_bubl[i] / (Q[2] / q_bubl[i])))));
+        gammaBubl1[i] := exp(log(gammac1_bubl[i]) + log(gammar1_bubl[i]));
+        gammaBubl2[i] := exp(log(gammac2_bubl[i]) + log(gammar2_bubl[i]));
+      end for;
+    end if;
+//Calculation of Activity coefficients at different pressures( P-x-y calculation routine)
+//Calculation of residual contribution term of activity coefficient
+//Calculation of combinatorial term of activity coefficient
+//Calculation of activity coefficients at different temperatures (T-x-y calculation routine)
+//Calculation of residual contribution term of activity coefficient
+//Calculation of combinatorial term of activity coefficient
+  end GammaUNIQUAC;
+
+  //================================================================================================
+  //Binary Phase Envelope
+  //Envelope Type : P-x-y
+  //Thermodynamic-Model : UNIQUAC
+  //Nature of System    : Azeotropic System
+  //========================================================================================
+
+  model PxyUNIQUAC
+    extends Modelica.Icons.Example;
+    //Libraries
+    import Simulator.*;
+    //Extension of Chemsep Database
+    Simulator.Files.ChemsepDatabase data;
+    //Parameter Section
+    //Selection of compounds
+    parameter data.Water wat;
+    parameter data.Ethanol eth;
+    //Instantiation of selected compounds
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties comp[Nc] = {wat, eth};
+    parameter Integer Nc = 2 "Number of components";
+    parameter Integer Choice = 1 "System choice of Txy or Pxy";
+    parameter Real T(unit = "K") = 315 "System Temperature";
+    //Empherical parameter (towk) at different temperatures
+    //Note : The below value will be active only in the T-x-y phase envelope routine
+    Real towk[N + 1, Nc, Nc];
+    parameter Integer N = 40 "Number of points of data generation";
+    Real delta "Increment step";
+    parameter Real a[Nc, Nc] = Simulator.Files.ThermodynamicFunctions.BIPUNIQUAC(Nc, comp.name) "Interaction Parameters";
+    //UNIQUAC parameters instantiated from Chemsep Database
+    parameter Real R[Nc] = comp.UniquacR;
+    parameter Real Q[Nc] = comp.UniquacQ;
+    //Variable Section
+    //Empherical Parameter (tow) at the system temperature
+    Real tow[Nc, Nc];
+    //Mole Fractions (x-axis) of the P-x-y plot
+    Real z1[N + 1], z2[N + 1];
+    //Activity coefficients at different Pressures
+    Real gammaBubl1[N + 1], gammaBubl2[N + 1];
+    //Bubble Pressure
+    Real P[N + 1](each unit = "Pa", each start = 776454);
+    //Distribution coefficient
+    Real K1[N + 1];
+    //Vapour Phase Mole Fraction
+    Real y1[N + 1](each start = 0.5), y2[N + 1](each start = 0.5);
+    //Vapour Pressure at the chosen temperature
+    Real Psat[Nc](unit = "Pa") "Vapour Pressure";
+    //=========================================================================================
+    //Equation Section
+  equation
+//Calculation of Vapour Pressure at the input temperature
+//Thermodynamic Function Psat is instantiated from Simulator Package
+    for i in 1:Nc loop
+      Psat[i] = Simulator.Files.ThermodynamicFunctions.Psat(comp[i].VP, T);
+    end for;
+//Calculation of increment step for the total number of points
+    delta = 1 / N;
+//Empherical parameter (towk) is assigned to 1 for P-x-y mode of operation
+    for k in 1:N + 1 loop
+      for i in 1:Nc loop
+        for j in 1:Nc loop
+          towk[k, i, j] = 1;
+        end for;
+      end for;
+    end for;
+//Calculation of Empherical parameter (tow) at the system temperature
+    tow = Simulator.Files.ThermodynamicFunctions.TowUNIQUAC(Nc, a, T);
+//Generation of mole fraction from 0 to 1 in steps of "delta"
+    z1[1] = 0;
+    for i in 2:N + 1 loop
+      z1[i] = z1[i - 1] + delta;
+    end for;
+    for i in 1:N + 1 loop
+      z2[i] = 1 - z1[i];
+    end for;
+//Calculation of Activity coefficients at different conditions using the function "Gamma_UNIQUAC"
+    (gammaBubl1, gammaBubl2) = BinaryPhaseEnvelopeUNIQUAC.GammaUNIQUAC(Choice, N, Nc, z1, z2, R, Q, tow, towk);
+//Bubble point calculation
+    for i in 1:N + 1 loop
+      P[i] = gammaBubl1[i] * z1[i] * exp(comp[1].VP[2] + comp[1].VP[3] / T + comp[1].VP[4] * log(T) + comp[1].VP[5] * T ^ comp[1].VP[6]) + gammaBubl2[i] * z2[i] * exp(comp[2].VP[2] + comp[2].VP[3] / T + comp[2].VP[4] * log(T) + comp[2].VP[5] * T ^ comp[2].VP[6]);
+    end for;
+//Phase Equlibria
+    for i in 1:N + 1 loop
+      K1[i] = gammaBubl1[i] * (Psat[1] / P[i]);
+      y1[i] = K1[i] * z1[i];
+      y2[i] = 1 - y1[i];
+    end for;
+  end PxyUNIQUAC;
+
+  //=====================================================================================================
+
+  model TxyUNIQUAC
+    extends Modelica.Icons.Example;
+    //Libraries
+    import Simulator.*;
+    //Extension of Chemsep database
+    Simulator.Files.ChemsepDatabase data;
+    //Parameter Section
+    //Selection of compounds
+    parameter data.Water wat;
+    parameter data.Ethanol eth;
+    //Instantiation of selected compounds
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties comp[Nc] = {wat, eth};
+    parameter Integer Choice = 2 "System choice of Txy or Pxy";
+    parameter Integer Nc = 2 "Number of components";
+    parameter Real P(unit = "Pa") = 101325 "System Pressure";
+    parameter Integer N = 40 "Number of points of data generation";
+    //UNIQUAC Parameters
+    parameter Real R[Nc] = comp.UniquacR;
+    parameter Real Q[Nc] = comp.UniquacQ;
+    parameter Real a[Nc, Nc] = Simulator.Files.ThermodynamicFunctions.BIPUNIQUAC(Nc, comp.name) "Interaction temperatures";
+    //Variable Section
+    Real delta "Increment step";
+    //Empherical parameter (towk) at different temperatures
+    //Note : The below value will be active only in the T-x-y phase envelope routine
+    Real towk[N + 1, Nc, Nc];
+    //Empherical Parameter (tow) at the system temperature
+    //Note : The below value will be active only in the P-x-y phase envelope routine
+    Real tow[Nc, Nc];
+    //Mole Fractions (x-axis) of the T-x-y plot
+    Real z1[N + 1], z2[N + 1];
+    //Bubble Temperature
+    Real T[N + 1](each unit = "K", each start = 300);
+    //Distribution coefficient
+    Real K1[N + 1];
+    //Vapour Phase Mole Fraction
+    Real y1[N + 1](each start = 0.5), y2[N + 1](each start = 0.5);
+    //Vapour Pressure at the chosen temperature range
+    Real Psat[N + 1, 1](each unit = "Pa");
+    //Activity coefficients at different Temperatures
+    Real gammaBubl1[N + 1], gammaBubl2[N + 1];
+    //Gas constant
+    parameter Real R_gas = 1.98721;
+    //=======================================================================================================
+    //Equation Section
+  equation
+//Calculation of increment step for the total number of points
+    delta = 1 / N;
+//Empherical parameter (towk) is calculated at different temperatures in the T-x-y mode of operation
+    for k in 1:N + 1 loop
+      for i in 1:Nc loop
+        for j in 1:Nc loop
+          towk[k, i, j] = exp(-a[i, j] / (R_gas * T[k]));
+        end for;
+      end for;
+    end for;
+//Empherical parameter (tow) is assigned to 1 for T-x-y mode of operation
+    for i in 1:Nc loop
+      for j in 1:Nc loop
+        tow[i, j] = 1;
+      end for;
+    end for;
+//Generation of mole fraction from 0 to 1 in steps of "delta"
+    z1[1] = 0;
+    for i in 2:N + 1 loop
+      z1[i] = z1[i - 1] + delta;
+    end for;
+    for i in 1:N + 1 loop
+      z2[i] = 1 - z1[i];
+    end for;
+//Calculation of Activity coefficients at different conditions using the function "Gamma_UNIQUAC"
+    (gammaBubl1, gammaBubl2) = BinaryPhaseEnvelopeUNIQUAC.GammaUNIQUAC(Choice, N, Nc, z1, z2, R, Q, tow, towk);
+//Bubble point calculation
+    for i in 1:N + 1 loop
+      P = gammaBubl1[i] * z1[i] * exp(comp[1].VP[2] + comp[1].VP[3] / T[i] + comp[1].VP[4] * log(T[i]) + comp[1].VP[5] * T[i] ^ comp[1].VP[6]) + gammaBubl2[i] * z2[i] * exp(comp[2].VP[2] + comp[2].VP[3] / T[i] + comp[2].VP[4] * log(T[i]) + comp[2].VP[5] * T[i] ^ comp[2].VP[6]);
+    end for;
+//Phase Equilibria
+    for i in 1:N + 1 loop
+      K1[i] = gammaBubl1[i] * (Psat[i, 1] / P);
+      y1[i] = K1[i] * z1[i];
+      y2[i] = 1 - y1[i];
+    end for;
+//Calculation of vapour pressures at different temperatures
+    for i in 1:N + 1 loop
+      Psat[i, 1] = Simulator.Files.ThermodynamicFunctions.Psat(comp[1].VP, T[i]);
+    end for;
+  end TxyUNIQUAC;
+
+  //================================================================================================
+  //==============================================================================================================
+  //================================================================================================================
+end BinaryPhaseEnvelopeUNIQUAC;
diff --git a/src/main/Simulator/Simulator/BinaryPhaseEnvelope/package.mo b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/package.mo
new file mode 100644
index 0000000..463d7b1
--- /dev/null
+++ b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/package.mo
@@ -0,0 +1,4 @@
+within Simulator;
+package BinaryPhaseEnvelope
+  extends Modelica.Icons.VariantsPackage;
+end BinaryPhaseEnvelope;
diff --git a/src/main/Simulator/Simulator/BinaryPhaseEnvelope/package.order b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/package.order
new file mode 100644
index 0000000..9e3f81f
--- /dev/null
+++ b/src/main/Simulator/Simulator/BinaryPhaseEnvelope/package.order
@@ -0,0 +1,4 @@
+BinaryPhaseEnvelopeUNIQUAC
+BinaryPhaseEnvelopeUNIFAC
+BinaryPhaseEnvelopePR
+BinaryPhaseEnvelopeNRTL
diff --git a/src/main/Simulator/Simulator/Examples/Absorption.mo b/src/main/Simulator/Simulator/Examples/Absorption.mo
new file mode 100644
index 0000000..f958807
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Absorption.mo
@@ -0,0 +1,56 @@
+within Simulator.Examples;
+
+package Absorption
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model Tray
+    extends Simulator.UnitOperations.AbsorptionColumn.AbsTray;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end Tray;
+
+  model AbsColumn
+    extends Simulator.UnitOperations.AbsorptionColumn.AbsCol;
+    Tray tray[Nt](each Nc = Nc, each C = C);
+  end AbsColumn;
+
+  model Test
+    extends Modelica.Icons.Example;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter Integer Nc = 3;
+    parameter data.Acetone acet;
+    parameter data.Air air;
+    parameter data.Water wat;
+    parameter data.GeneralProperties C[Nc] = {acet, air, wat};
+    Simulator.Examples.Absorption.ms water(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-90, 66}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Absorption.ms air_acetone(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-88, -84}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Absorption.AbsColumn abs(Nc = Nc, C = C, Nt = 10) annotation(
+      Placement(visible = true, transformation(origin = {-20, -6}, extent = {{-16, -16}, {16, 16}}, rotation = 0)));
+    Simulator.Examples.Absorption.ms top(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {62, 62}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Absorption.ms bottom(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {70, -86}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+  connect(air_acetone.Out, abs.In_Bot) annotation(
+      Line(points = {{-78, -84}, {-69, -84}, {-69, -54}, {-60, -54}}));
+  connect(water.Out, abs.In_Top) annotation(
+      Line(points = {{-80, 66}, {-69, 66}, {-69, 42}, {-60, 42}}));
+  connect(abs.Out_Top, top.In) annotation(
+      Line(points = {{20, 42}, {38, 42}, {38, 62}, {52, 62}}));
+  connect(abs.Out_Bot, bottom.In) annotation(
+      Line(points = {{20, -54}, {36.5, -54}, {36.5, -86}, {60, -86}}));
+    water.P = 101325;
+    water.T = 325;
+    water.F_p[1] = 30;
+    water.x_pc[1, :] = {0, 0, 1};
+    air_acetone.P = 101325;
+    air_acetone.T = 335;
+    air_acetone.F_p[1] = 30;
+    air_acetone.x_pc[1, :] = {0.5, 0.5, 0};
+  end Test;
+end Absorption;
diff --git a/src/main/Simulator/Simulator/Examples/CR.mo b/src/main/Simulator/Simulator/Examples/CR.mo
new file mode 100644
index 0000000..e9c755e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/CR.mo
@@ -0,0 +1,49 @@
+within Simulator.Examples;
+
+package CR
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.NRTL;
+  end ms;
+
+  model test
+    extends Modelica.Icons.Example;
+  //=================================================================
+    //Header Files and Parameters
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter Integer Nc = 4;
+    parameter data.Ethylacetate etac;
+    parameter data.Water wat;
+    parameter data.Aceticacid aa;
+    parameter data.Ethanol eth;
+    parameter data.GeneralProperties C[Nc] = {etac, wat, aa, eth};
+    //==================================================================
+    //Instantiation of Streams and Blocks
+    Simulator.Examples.CR.ms S1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-89, -1}, extent = {{-11, -11}, {11, 11}}, rotation = 0)));
+    Simulator.Examples.CR.ms S2(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {90, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.CR.conv_react B1(Nc = Nc, C = C, Nr = 1, BC_r = {3}, Coef_cr = {{1}, {1}, {-1}, {-1}}, X_r = {0.3},  CalcMode = "Isothermal", Tdef = 300) annotation(
+      Placement(visible = true, transformation(origin = {7, -1}, extent = {{-29, -29}, {29, 29}}, rotation = 0)));
+    
+  equation
+//==================================================================
+//Connections
+    connect(B1.Out, S2.In) annotation(
+      Line(points = {{36, 0}, {80, 0}, {80, 0}, {80, 0}}, color = {0, 70, 70}));
+    connect(S1.Out, B1.In) annotation(
+      Line(points = {{-78, 0}, {-22, 0}, {-22, 0}, {-22, 0}}, color = {0, 70, 70}));
+//==================================================================
+//Inputs and Specifications
+    S1.P = 101325;
+    S1.T = 300;
+    S1.x_pc[1, :] = {0, 0, 0.4, 0.6};
+    S1.F_p[1] = 100;
+  end test;
+
+  model conv_react
+    extends Simulator.UnitOperations.ConversionReactor;
+    extends Simulator.Files.Models.ReactionManager.ConversionReaction;
+  end conv_react;
+end CR;
diff --git a/src/main/Simulator/Simulator/Examples/CompositeMS.mo b/src/main/Simulator/Simulator/Examples/CompositeMS.mo
new file mode 100644
index 0000000..0fdb681
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/CompositeMS.mo
@@ -0,0 +1,29 @@
+within Simulator.Examples;
+
+package CompositeMS
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model main
+    extends Modelica.Icons.Example;
+    //instance of database
+    import data = Simulator.Files.ChemsepDatabase;
+    //instance of components
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    //declaration of Nc and comp
+    parameter Integer Nc = 2;
+    parameter data.GeneralProperties C[Nc] = {benz, tol};
+    //instance of composite material stream
+    Simulator.Examples.CompositeMS.ms ms1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-79, -31}, extent = {{-11, -11}, {11, 11}}, rotation = 0)));
+  equation
+    ms1.P = 101325;
+    ms1.T = 368;
+    ms1.F_p[1] = 100;
+    ms1.x_pc[1, :] = {0.5, 0.5};
+  end main;
+end CompositeMS;
diff --git a/src/main/Simulator/Simulator/Examples/CompoundSeparator.mo b/src/main/Simulator/Simulator/Examples/CompoundSeparator.mo
new file mode 100644
index 0000000..eeec442
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/CompoundSeparator.mo
@@ -0,0 +1,40 @@
+within Simulator.Examples;
+
+package CompoundSeparator
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream(Nc = 2, C = {benz, tol});
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model main
+    extends Modelica.Icons.Example;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    ms Inlet(Nc = 2, C = {benz, tol}) annotation(
+      Placement(visible = true, transformation(origin = {-82, -2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms Outlet1(Nc = 2, C = {benz, tol}) annotation(
+      Placement(visible = true, transformation(origin = {64, 18}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.CompoundSeparator.ms Outlet2(Nc = 2, C = {benz, tol}) annotation(
+      Placement(visible = true, transformation(origin = {66, -20}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream Energy annotation(
+      Placement(visible = true, transformation(origin = {-40, -50}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.UnitOperations.CompoundSeparator compound_Separator1(Nc = 2, C = {benz, tol}, SepFact_c = {"Molar_Flow", "Mass_Flow"}, SepStrm = 1) annotation(
+      Placement(visible = true, transformation(origin = {-20, 8}, extent = {{-10, -20}, {10, 20}}, rotation = 0)));
+  equation
+  connect(Inlet.Out, compound_Separator1.In) annotation(
+      Line(points = {{-72, -2}, {-43, -2}, {-43, 8}, {-32, 8}}));
+  connect(compound_Separator1.Out1, Outlet1.In) annotation(
+      Line(points = {{-8, 14}, {22, 14}, {22, 18}, {54, 18}}));
+  connect(compound_Separator1.Out2, Outlet2.In) annotation(
+      Line(points = {{-8, 3}, {26, 3}, {26, -20}, {56, -20}}));
+  connect(Energy.Out, compound_Separator1.En) annotation(
+      Line(points = {{-30, -50}, {-20, -50}, {-20, -5}}, color = {255, 0, 0}));
+    Inlet.P = 101325;
+    Inlet.T = 298.15;
+    Inlet.x_pc[1, :] = {0.5, 0.5};
+    Inlet.F_p[1] = 100;
+    compound_Separator1.SepVal_c = {20, 1500};
+  end main;
+end CompoundSeparator;
diff --git a/src/main/Simulator/Simulator/Examples/Compressor.mo b/src/main/Simulator/Simulator/Examples/Compressor.mo
new file mode 100644
index 0000000..c3e9e6e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Compressor.mo
@@ -0,0 +1,52 @@
+within Simulator.Examples;
+
+package Compressor
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    //This model will be instantiated in adia_comp model as outlet stream of heater. Dont run this model. Run adia_comp model for test
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model compres
+    extends UnitOperations.AdiabaticCompressor;
+    extends Files.ThermodynamicPackages.RaoultsLaw;
+  end compres;
+
+  model main
+    extends Modelica.Icons.Example;
+    import data = Simulator.Files.ChemsepDatabase;
+    //instantiation of chemsep database
+    parameter data.Benzene ben;
+    //instantiation of methanol
+    parameter data.Toluene tol;
+    //instantiation of ethanol
+    parameter Integer Nc = 2;
+    parameter data.GeneralProperties C[Nc] = {ben, tol};
+    Simulator.Examples.Compressor.compres adiabatic_Compressor1(Nc = Nc, C = C, Eff = 0.75) annotation(
+      Placement(visible = true, transformation(origin = {-17, 7}, extent = {{-15, -15}, {15, 15}}, rotation = 0)));
+    Simulator.Examples.Compressor.ms inlet(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-78, 8}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms outlet(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {58, 6}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream power annotation(
+      Placement(visible = true, transformation(origin = {-50, -56}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+  connect(inlet.Out, adiabatic_Compressor1.In) annotation(
+      Line(points = {{-68, 8}, {-50, 8}, {-50, 17}, {-32, 17}}));
+  connect(adiabatic_Compressor1.Out, outlet.In) annotation(
+      Line(points = {{-2, 17}, {31, 17}, {31, 6}, {48, 6}}));
+  connect(power.Out, adiabatic_Compressor1.En) annotation(
+      Line(points = {{-40, -56}, {-17, -56}, {-17, 7}}));
+    inlet.x_pc[1, :] = {0.5, 0.5};
+//mixture molar composition
+    inlet.P = 202650;
+//input pressure
+    inlet.T = 372;
+//input temperature
+    inlet.F_p[1] = 100;
+//input molar flow
+    adiabatic_Compressor1.Pdel = 10000;
+//pressure increase
+  end main;
+end Compressor;
diff --git a/src/main/Simulator/Simulator/Examples/Cooler.mo b/src/main/Simulator/Simulator/Examples/Cooler.mo
new file mode 100644
index 0000000..e6c7af3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Cooler.mo
@@ -0,0 +1,51 @@
+within Simulator.Examples;
+
+package Cooler
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    //This model will be instantiated in maintest model as outlet stream of cooler. Dont run this model. Run maintest model for cooler test
+    extends Simulator.Streams.MaterialStream(Nc = 2);
+    //material stream extended
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+    //thermodynamic package Raoults law is extended
+  end ms;
+
+  model cool
+    extends Modelica.Icons.Example;
+    //use non linear solver hybrid to simulate this model
+    import data = Simulator.Files.ChemsepDatabase;
+    //instantiation of chemsep database
+    parameter data.Methanol meth;
+    //instantiation of methanol
+    parameter data.Ethanol eth;
+    //instantiation of ethanol
+    parameter data.Water wat;
+    //instantiation of water
+    Simulator.UnitOperations.Cooler cooler1(Pdel = 0, Eff = 1, Nc = 3, C = {meth, eth, wat}) annotation(
+      Placement(visible = true, transformation(origin = {-8, 18}, extent = {{-14, -14}, {14, 14}}, rotation = 0)));
+     Simulator.Examples.Cooler.ms inlet(Nc = 3, C = {meth, eth, wat}) annotation(
+      Placement(visible = true, transformation(origin = {-72, 18}, extent = {{-12, -12}, {12, 12}}, rotation = 0)));
+    Simulator.Examples.Cooler.ms outlet(Nc = 3, C = {meth, eth, wat}) annotation(
+      Placement(visible = true, transformation(origin = {60, 12}, extent = {{-12, -12}, {12, 12}}, rotation = 0)));
+    Simulator.Streams.EnergyStream energy annotation(
+      Placement(visible = true, transformation(origin = {47, -27}, extent = {{-13, -13}, {13, 13}}, rotation = 0)));
+  equation
+    connect(cooler1.En, energy.In) annotation(
+      Line(points = {{6, 4}, {6, -27}, {34, -27}}, color = {255, 0, 0}));
+  connect(cooler1.Out, outlet.In) annotation(
+      Line(points = {{6, 18}, {26, 18}, {26, 12}, {48, 12}}));
+  connect(inlet.Out, cooler1.In) annotation(
+      Line(points = {{-60, 18}, {-22, 18}}));
+  equation
+    inlet.x_pc[1, :] = {0.33, 0.33, 0.34};
+//mixture molar composition
+    inlet.P = 101325;
+//input pressure
+    inlet.T = 353;
+//input temperature
+    inlet.F_p[1] = 100;
+//input molar flow
+    cooler1.Q = 200000;
+//heat removed
+  end cool;
+end Cooler;
diff --git a/src/main/Simulator/Simulator/Examples/Distillation.mo b/src/main/Simulator/Simulator/Examples/Distillation.mo
new file mode 100644
index 0000000..fab504a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Distillation.mo
@@ -0,0 +1,239 @@
+within Simulator.Examples;
+
+package Distillation
+  extends Modelica.Icons.ExamplesPackage;
+  model Condenser
+    extends Simulator.UnitOperations.DistillationColumn.Cond;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end Condenser;
+
+  model Tray
+    extends Simulator.UnitOperations.DistillationColumn.DistTray;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end Tray;
+
+  model Reboiler
+    extends Simulator.UnitOperations.DistillationColumn.Reb;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end Reboiler;
+
+  model DistColumn
+    extends Simulator.UnitOperations.DistillationColumn.DistCol;
+    Condenser condenser(Nc = Nc, C = C, Ctype = Ctype, Bin = Bin_t[1]);
+    Reboiler reboiler(Nc = Nc, C = C, Bin = Bin_t[Nt]);
+    Tray tray[Nt - 2](each Nc = Nc, each C = C, Bin = Bin_t[2:Nt - 1]);
+  end DistColumn;
+
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model Test
+    extends Modelica.Icons.Example;
+    parameter Integer Nc = 2;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] = {benz, tol};
+    Simulator.Examples.Distillation.DistColumn distCol(Nc = Nc, C = C, Nt = 4, Ni = 1, InT_s = {3}, Ctype = "Partial") annotation(
+      Placement(visible = true, transformation(origin = {-22, 8}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms feed(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-76, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms distillate(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {64, 22}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms bottoms(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {68, -16}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream cond_duty annotation(
+      Placement(visible = true, transformation(origin = {38, 62}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream reb_duty annotation(
+      Placement(visible = true, transformation(origin = {48, -52}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+  connect(distCol.Cduty, cond_duty.In) annotation(
+      Line(points = {{3, 68}, {14.5, 68}, {14.5, 62}, {28, 62}}));
+  connect(distCol.Rduty, reb_duty.In) annotation(
+      Line(points = {{3, -52}, {38, -52}}));
+  connect(distCol.Bot, bottoms.In) annotation(
+      Line(points = {{3, -22}, {29.5, -22}, {29.5, -16}, {58, -16}}));
+  connect(distCol.Dist, distillate.In) annotation(
+      Line(points = {{3, 38}, {26.5, 38}, {26.5, 22}, {54, 22}}));
+  connect(feed.Out, distCol.In_s[1]) annotation(
+      Line(points = {{-66, 2}, {-57.5, 2}, {-57.5, 8}, {-47, 8}}));
+    feed.P = 101325;
+    feed.T = 298.15;
+    feed.F_p[1] = 100;
+    feed.x_pc[1, :] = {0.5, 0.5};
+    distCol.condenser.P = 101325;
+    distCol.reboiler.P = 101325;
+    distCol.RR = 2;
+    bottoms.F_p[1] = 50;
+  end Test;
+
+  model Test2
+    extends Modelica.Icons.Example;
+    parameter Integer Nc = 2;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] = {benz, tol};
+    DistColumn distCol(Nc = Nc, C = C, Nt = 12, Ni = 1, InT_s = {7}) annotation(
+      Placement(visible = true, transformation(origin = {-3, 3}, extent = {{-25, -25}, {25, 25}}, rotation = 0)));
+    ms feed(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-76, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms distillate(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {64, 22}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms bottoms(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {68, -16}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream cond_duty annotation(
+      Placement(visible = true, transformation(origin = {38, 62}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream reb_duty annotation(
+      Placement(visible = true, transformation(origin = {48, -52}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+    connect(distCol.Cduty, cond_duty.In) annotation(
+      Line(points = {{12, 28}, {12, 28}, {12, 62}, {28, 62}, {28, 62}}));
+    connect(distCol.Rduty, reb_duty.In) annotation(
+      Line(points = {{16, -22}, {16, -22}, {16, -52}, {38, -52}, {38, -52}}));
+    connect(distCol.Bot, bottoms.In) annotation(
+      Line(points = {{22, -14}, {56, -14}, {56, -16}, {58, -16}}));
+    connect(distCol.Dist, distillate.In) annotation(
+      Line(points = {{22, 22}, {54, 22}, {54, 22}, {54, 22}}));
+    connect(feed.Out, distCol.In_s[1]) annotation(
+      Line(points = {{-66, 2}, {-30, 2}, {-30, 2}, {-28, 2}}));
+    feed.P = 101325;
+    feed.T = 298.15;
+    feed.F_p[1] = 100;
+    feed.x_pc[1, :] = {0.5, 0.5};
+    distCol.condenser.P = 101325;
+    distCol.reboiler.P = 101325;
+    distCol.RR = 2;
+    bottoms.F_p[1] = 50;
+  end Test2;
+
+  model Test3
+    extends Modelica.Icons.Example;
+    parameter Integer Nc = 2;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] = {benz, tol};
+    DistColumn distCol(Nc = Nc, C = C, Ni = 1, Nt = 22, InT_s = {10}) annotation(
+      Placement(visible = true, transformation(origin = {-3, 3}, extent = {{-25, -25}, {25, 25}}, rotation = 0)));
+    ms feed(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-76, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms distillate(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {64, 22}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms bottoms(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {68, -16}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream cond_duty annotation(
+      Placement(visible = true, transformation(origin = {38, 62}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream reb_duty annotation(
+      Placement(visible = true, transformation(origin = {48, -52}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+    connect(distCol.Cduty, cond_duty.In) annotation(
+      Line(points = {{12, 28}, {12, 28}, {12, 62}, {28, 62}, {28, 62}}));
+    connect(distCol.Rduty, reb_duty.In) annotation(
+      Line(points = {{16, -22}, {16, -22}, {16, -52}, {38, -52}, {38, -52}}));
+    connect(distCol.Bot, bottoms.In) annotation(
+      Line(points = {{22, -14}, {56, -14}, {56, -16}, {58, -16}}));
+    connect(distCol.Dist, distillate.In) annotation(
+      Line(points = {{22, 22}, {54, 22}, {54, 22}, {54, 22}}));
+    connect(feed.Out, distCol.In_s[1]) annotation(
+      Line(points = {{-66, 2}, {-30, 2}, {-30, 2}, {-28, 2}}));
+    feed.P = 101325;
+    feed.T = 298.15;
+    feed.F_p[1] = 100;
+    feed.x_pc[1, :] = {0.3, 0.7};
+    distCol.condenser.P = 101325;
+    distCol.reboiler.P = 101325;
+    distCol.RR = 1.5;
+    bottoms.F_p[1] = 70;
+  end Test3;
+
+  model Test4
+    extends Modelica.Icons.Example;
+    parameter Integer Nc = 2;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] = {benz, tol};
+    DistColumn distCol(Nc = Nc, C = C, Nt = 22, Ni = 1, InT_s = {10}, condenser.Ctype = "Partial") annotation(
+      Placement(visible = true, transformation(origin = {-3, 3}, extent = {{-25, -25}, {25, 25}}, rotation = 0)));
+    ms feed(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-76, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms distillate(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {64, 22}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms bottoms(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {68, -16}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream cond_duty annotation(
+      Placement(visible = true, transformation(origin = {38, 62}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream reb_duty annotation(
+      Placement(visible = true, transformation(origin = {48, -52}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+    connect(distCol.Cduty, cond_duty.In) annotation(
+      Line(points = {{12, 28}, {12, 28}, {12, 62}, {28, 62}, {28, 62}}));
+    connect(distCol.Rduty, reb_duty.In) annotation(
+      Line(points = {{16, -22}, {16, -22}, {16, -52}, {38, -52}, {38, -52}}));
+    connect(distCol.Bot, bottoms.In) annotation(
+      Line(points = {{22, -14}, {56, -14}, {56, -16}, {58, -16}}));
+    connect(distCol.Dist, distillate.In) annotation(
+      Line(points = {{22, 22}, {54, 22}, {54, 22}, {54, 22}}));
+    connect(feed.Out, distCol.In_s[1]) annotation(
+      Line(points = {{-66, 2}, {-30, 2}, {-30, 2}, {-28, 2}}));
+    feed.P = 101325;
+    feed.T = 298.15;
+    feed.F_p[1] = 96.8;
+    feed.x_pc[1, :] = {0.3, 0.7};
+    distCol.condenser.P = 151325;
+    distCol.reboiler.P = 101325;
+    distCol.RR = 1.5;
+    bottoms.F_p[1] = 70;
+  end Test4;
+
+  model multiFeedTest
+    extends Modelica.Icons.Example;
+    parameter Integer Nc = 2;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] = {benz, tol};
+    DistColumn distCol(Nc = Nc, C = C, Nt = 5, Ni = 2, InT_s = {3, 4}) annotation(
+      Placement(visible = true, transformation(origin = {-3, 3}, extent = {{-25, -25}, {25, 25}}, rotation = 0)));
+    ms feed(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-76, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms distillate(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {64, 22}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms bottoms(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {68, -16}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream cond_duty annotation(
+      Placement(visible = true, transformation(origin = {38, 62}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream reb_duty annotation(
+      Placement(visible = true, transformation(origin = {48, -52}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms ms1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-80, 50}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+    connect(ms1.Out, distCol.In_s[2]) annotation(
+      Line(points = {{-70, 50}, {-26, 50}, {-26, 2}, {-28, 2}}));
+    connect(distCol.Cduty, cond_duty.In) annotation(
+      Line(points = {{12, 28}, {12, 28}, {12, 62}, {28, 62}, {28, 62}}));
+    connect(distCol.Rduty, reb_duty.In) annotation(
+      Line(points = {{16, -22}, {16, -22}, {16, -52}, {38, -52}, {38, -52}}));
+    connect(distCol.Bot, bottoms.In) annotation(
+      Line(points = {{22, -14}, {56, -14}, {56, -16}, {58, -16}}));
+    connect(distCol.Dist, distillate.In) annotation(
+      Line(points = {{22, 22}, {54, 22}, {54, 22}, {54, 22}}));
+    connect(feed.Out, distCol.In_s[1]) annotation(
+      Line(points = {{-66, 2}, {-30, 2}, {-30, 2}, {-28, 2}}));
+    feed.P = 101325;
+    feed.T = 298.15;
+    feed.F_p[1] = 100;
+    feed.x_pc[1, :] = {0.5, 0.5};
+    distCol.condenser.P = 101325;
+    distCol.reboiler.P = 101325;
+    distCol.RR = 2;
+    bottoms.F_p[1] = 50;
+    ms1.P = 101325;
+    ms1.T = 298.15;
+    ms1.F_p[1] = 100;
+    ms1.x_pc[1, :] = {0.5, 0.5};
+  end multiFeedTest;
+end Distillation;
diff --git a/src/main/Simulator/Simulator/Examples/EquilibriumReactor.mo b/src/main/Simulator/Simulator/Examples/EquilibriumReactor.mo
new file mode 100644
index 0000000..36f51bb
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/EquilibriumReactor.mo
@@ -0,0 +1,81 @@
+within Simulator.Examples;
+
+package EquilibriumReactor
+
+extends Modelica.Icons.ExamplesPackage;
+
+model ms
+  extends Simulator.Streams.MaterialStream;
+  //material stream extended
+  extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  //thermodynamic package Raoults law is extended
+end ms;
+
+model EqRxr
+  extends Modelica.Icons.Example;
+  import data = Simulator.Files.ChemsepDatabase;
+  //instantiation of ethanol
+  parameter data.Hydrogen hyd;
+  //instantiation of acetic acid
+  parameter data.Carbonmonoxide com;
+  //instantiation of water
+  parameter data.Methanol meth;
+  
+  parameter Integer Nc = 3;
+  parameter data.GeneralProperties C[Nc] = {hyd,com,meth};
+ Simulator.Examples.EquilibriumReactor.ms Inlet(Nc = Nc, C = C) annotation(
+    Placement(visible = true, transformation(origin = {-108, 46}, extent = {{-20, -20}, {20, 20}}, rotation = 0)));
+  Simulator.Examples.EquilibriumReactor.ms Outlet(Nc = Nc, C = C) annotation(
+    Placement(visible = true, transformation(origin = {88, -46}, extent = {{-20, -20}, {20, 20}}, rotation = 0)));
+  Simulator.UnitOperations.EquilibriumReactor Eqreactor(Basis = "Activity",C = C, Coef_cr = {{-2}, {-1}, {1}}, Kg = {0.5}, Mode = "Isothermal", Nc = Nc, Phase = "Vapour", Rmode = "ConstantK") annotation(
+    Placement(visible = true, transformation(origin = {-2, 10}, extent = {{28, 28}, {-28, -28}}, rotation = 180)));
+equation
+ 
+  Inlet.T = 366.5;
+  Inlet.P = 101325;
+  Inlet.F_p[1] = 27.7778;
+  Inlet.x_pc[1, :] = {0.667,0.333,0};
+ connect(Inlet.Out, Eqreactor.In) annotation(
+      Line(points = {{-88, 46}, {-30, 46}, {-30, 10}, {-30, 10}}, color = {0, 70, 70}));
+ connect(Eqreactor.Out, Outlet.In) annotation(
+      Line(points = {{26, 10}, {28, 10}, {28, -46}, {68, -46}, {68, -46}}, color = {0, 70, 70}));
+  annotation(
+    Icon(coordinateSystem(initialScale = 0)));
+  annotation(
+    Icon(coordinateSystem(initialScale = 0)));
+
+end EqRxr;
+
+model EqRxra
+   extends Modelica.Icons.Example;
+  import data = Simulator.Files.ChemsepDatabase;
+  //instantiation of ethanol
+  parameter data.Ethanol eth;
+  //instantiation of acetic acid
+  parameter data.Aceticacid acid;
+  //instantiation of water
+  parameter data.Water wat;
+  // instantiation of ethyl acetate
+  parameter data.Ethylacetate eac;
+  parameter Integer Nc = 4;
+  parameter data.GeneralProperties C[Nc] = {eth, acid, wat, eac};
+  Simulator.Examples.EquilibriumReactor .ms Inlet(Nc = Nc, C = C) annotation(
+    Placement(visible = true, transformation(origin = {-118, 48}, extent = {{-20, -20}, {20, 20}}, rotation = 0)));
+  Simulator.Examples.EquilibriumReactor .ms Outlet(Nc = Nc, C = C) annotation(
+    Placement(visible = true, transformation(origin = {88, -46}, extent = {{-20, -20}, {20, 20}}, rotation = 0)));
+  Simulator.UnitOperations.EquilibriumReactor Eqreactor(C = C, Nc = Nc, Mode = "Adiabatic", Basis = "PartialPressure", Phase = "Vapour") annotation(
+    Placement(visible = true, transformation(origin = {-4, 10}, extent = {{28, 28}, {-28, -28}}, rotation = 180)));
+  equation
+  Inlet.T = 343.15;
+  Inlet.P = 101325;
+  Inlet.F_p[1] = 10;
+  Inlet.x_pc[1, :] = {0.5, 0.5, 0, 0};
+  connect(Inlet.Out, Eqreactor.In) annotation(
+      Line(points = {{-98, 48}, {-32, 48}, {-32, 10}, {-32, 10}}, color = {0, 70, 70}));
+  connect(Eqreactor.Out, Outlet.In) annotation(
+      Line(points = {{24, 10}, {24, 10}, {24, -46}, {68, -46}, {68, -46}}, color = {0, 70, 70}));
+
+end EqRxra;
+
+
+end EquilibriumReactor;
diff --git a/src/main/Simulator/Simulator/Examples/Expander.mo b/src/main/Simulator/Simulator/Examples/Expander.mo
new file mode 100644
index 0000000..28c5655
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Expander.mo
@@ -0,0 +1,56 @@
+within Simulator.Examples;
+
+package Expander
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model Exp
+    extends Simulator.UnitOperations.AdiabaticExpander;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end Exp;
+
+  model main
+    extends Modelica.Icons.Example;
+  //================================================================
+  //Header files and Parameters
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene ben;
+    parameter data.Toluene tol;
+    parameter Integer Nc = 2;
+    parameter data.GeneralProperties C[Nc] = {ben, tol};
+    
+  //================================================================
+  //Instantiation of Streams and Blocks
+    Simulator.Examples.Compressor.ms S1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-82, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Expander.ms S2(Nc = Nc, C = C, T(start = 374)) annotation(
+      Placement(visible = true, transformation(origin = {62, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Expander.Exp B1(Nc = Nc, C = C, Eff = 0.75) annotation(
+      Placement(visible = true, transformation(origin = {-3, -1}, extent = {{-23, -23}, {23, 23}}, rotation = 0)));
+    Simulator.Streams.EnergyStream E1 annotation(
+      Placement(visible = true, transformation(origin = {-30, -60}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  equation
+  
+  //================================================================
+  //Connections
+   connect(E1.Out, B1.En) annotation(
+      Line(points = {{-20, -60}, {-2, -60}, {-2, -16}, {-2, -16}}, color = {255, 0, 0}));
+    connect(B1.Out, S2.In) annotation(
+      Line(points = {{20, 0}, {52, 0}, {52, 0}, {52, 0}}, color = {0, 70, 70}));
+    connect(S1.Out, B1.In) annotation(
+      Line(points = {{-72, 0}, {-26, 0}, {-26, 0}, {-26, 0}}, color = {0, 70, 70}));
+  
+  //================================================================
+  //Inputs and Specifications
+    S1.x_pc[1, :] = {0.5, 0.5};
+    S1.P = 131325;
+    S1.T = 372;
+    S1.F_p[1] = 100;
+    B1.Pdel = 10000;
+
+  end main;
+end Expander;
diff --git a/src/main/Simulator/Simulator/Examples/Flash.mo b/src/main/Simulator/Simulator/Examples/Flash.mo
new file mode 100644
index 0000000..e128397
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Flash.mo
@@ -0,0 +1,54 @@
+within Simulator.Examples;
+
+package Flash
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model fls
+    extends Simulator.UnitOperations.Flash;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end fls;
+
+  model test
+  extends Modelica.Icons.Example;
+  //=====================================================================
+  //Header Files and Parameters
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    parameter Integer Nc = 2;
+    parameter data.GeneralProperties C[Nc] = {benz, tol};
+    
+  //=====================================================================
+  //Instantiation of Streams and Blocks
+    ms S1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-70, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Flash.ms S2(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {56, -16}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Flash.ms S3(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {54, 28}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Flash.fls B1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-14, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    
+  equation
+    
+  //=====================================================================
+  //Connections
+   connect(B1.Out2, S2.In) annotation(
+      Line(points = {{-4, -6}, {32, -6}, {32, -16}, {46, -16}, {46, -16}}, color = {0, 70, 70}));
+   connect(B1.Out1, S3.In) annotation(
+      Line(points = {{-4, 10}, {32, 10}, {32, 28}, {44, 28}, {44, 28}}, color = {0, 70, 70}));
+   connect(S1.Out, B1.In) annotation(
+      Line(points = {{-60, 2}, {-24, 2}, {-24, 2}, {-24, 2}}, color = {0, 70, 70}));
+  
+  //=====================================================================
+  //Inputs and Specifications
+    S1.P = 101325;
+    S1.T = 368;
+    S1.x_pc[1, :] = {0.5, 0.5};
+    S1.F_p[1] = 100;
+  end test;
+end Flash;
diff --git a/src/main/Simulator/Simulator/Examples/HeatExchanger.mo b/src/main/Simulator/Simulator/Examples/HeatExchanger.mo
new file mode 100644
index 0000000..29fd96f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/HeatExchanger.mo
@@ -0,0 +1,95 @@
+within Simulator.Examples;
+  
+package HeatExchanger
+  //Model of a General Purpouse Heat Exchanger operating with multiple modes
+  //================================================================================================================
+  extends Modelica.Icons.ExamplesPackage;
+  model MS
+    extends Simulator.Streams.MaterialStream;
+    //material stream extended
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+    //thermodynamic package Raoults law is extended
+  end MS;
+
+  model HX_Test
+  extends Modelica.Icons.Example;
+  import data = Simulator.Files.ChemsepDatabase;
+    //instantiation of ethanol
+    parameter data.Styrene sty;
+    //instantiation of acetic acid
+    parameter data.Toluene tol;
+    parameter Integer Nc = 2;
+    parameter data.GeneralProperties C[Nc] = {sty, tol};
+    Simulator.UnitOperations.HeatExchanger HX(Cmode = "Outlet_Temparatures", Qloss = 0, Mode = "CounterCurrent", Nc = Nc, C = C, Pdelc = 0, Pdelh = 0) annotation(
+      Placement(visible = true, transformation(origin = {-16, -2}, extent = {{-22, -22}, {22, 22}}, rotation = 0)));
+    Simulator.Examples.HeatExchanger.MS In_Hot(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-86, 38}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.HeatExchanger.MS Out_Hot(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {68, 70}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.HeatExchanger.MS In_Cold(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-22, 64}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.HeatExchanger.MS Out_Cold(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {46, -48}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+    connect(In_Hot.Out, HX.In_Hot) annotation(
+      Line(points = {{-76, 38}, {-76, -2}, {-38, -2}}));
+    connect(HX.Out_Hot, Out_Hot.In) annotation(
+      Line(points = {{6, -2}, {6, 45}, {58, 45}, {58, 70}}));
+    connect(HX.Out_Cold, Out_Cold.In) annotation(
+      Line(points = {{-16, -24}, {-16, -48}, {36, -48}}));
+    connect(In_Cold.Out, HX.In_Cold) annotation(
+      Line(points = {{-12, 64}, {-12, 38}, {-16, 38}, {-16, 20}}));
+    In_Hot.x_pc[1, :] = {1, 0};
+    In_Cold.x_pc[1, :] = {0, 1};
+    In_Hot.F_p[1] = 181.46776;
+    In_Cold.F_p[1] = 170.93083;
+    In_Hot.T = 422.03889;
+    In_Cold.T = 310.92778;
+    In_Hot.P = 344737.24128;
+    In_Cold.P = 620527.03429;
+    HX.U = 300;
+    HX.Qact = 2700E03;
+  end HX_Test;
+
+  model HX_Design
+  extends Modelica.Icons.Example;
+  import data = Simulator.Files.ChemsepDatabase;
+    
+    parameter data.Water wat;
+    parameter data.Noctane oct;
+    parameter data.Nnonane non;
+    parameter data.Ndecane dec;
+    
+    parameter Integer Nc = 4;
+    parameter data.GeneralProperties C[Nc] = {wat,oct,non,dec};
+    
+    Simulator.UnitOperations.HeatExchanger HX( C = C,Cmode = "Design", Mode = "CounterCurrent", Nc = Nc, Pdelc = 0, Pdelh = 0, Qloss = 0) annotation(
+      Placement(visible = true, transformation(origin = {-16, -2}, extent = {{-22, -22}, {22, 22}}, rotation = 0)));
+    Simulator.Examples.HeatExchanger.MS In_Hot(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-86, 38}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.HeatExchanger.MS Out_Hot(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {68, 70}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.HeatExchanger.MS In_Cold(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-22, 64}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.HeatExchanger.MS Out_Cold(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {46, -48}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  equation
+    connect(In_Hot.Out, HX.In_Hot) annotation(
+      Line(points = {{-76, 38}, {-76, -2}, {-38, -2}}));
+    connect(HX.Out_Hot, Out_Hot.In) annotation(
+      Line(points = {{6, -2}, {6, 45}, {58, 45}, {58, 70}}));
+    connect(HX.Out_Cold, Out_Cold.In) annotation(
+      Line(points = {{-16, -24}, {-16, -48}, {36, -48}}));
+    connect(In_Cold.Out, HX.In_Cold) annotation(
+      Line(points = {{-12, 64}, {-12, 38}, {-16, 38}, {-16, 20}}));
+    In_Hot.x_pc[1, :] = {0, 0,0.1,0.9};
+    In_Cold.x_pc[1, :] = {1,0,0,0};
+    In_Hot.F_p[1] =212.94371;
+    In_Cold.F_p[1] = 3077.38424;
+    In_Hot.T = 377.03889;
+    In_Cold.T = 304.26111;
+    In_Hot.P =1116948.66173;
+    In_Cold.P = 606737.54464;
+  end HX_Design;
+end HeatExchanger;
diff --git a/src/main/Simulator/Simulator/Examples/Heater.mo b/src/main/Simulator/Simulator/Examples/Heater.mo
new file mode 100644
index 0000000..dd28183
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Heater.mo
@@ -0,0 +1,54 @@
+within Simulator.Examples;
+
+package Heater
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    //material stream extended
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+    //thermodynamic package Raoults law is extended
+  end ms;
+
+  model heat
+    extends Modelica.Icons.Example;
+    //instance of chemsep database
+    import data = Simulator.Files.ChemsepDatabase;
+    //instance of methanol
+    parameter data.Methanol meth;
+    //instance of ethanol
+    parameter data.Ethanol eth;
+    //instance of water
+    parameter data.Water wat;
+    //instance of heater
+    parameter Integer Nc = 3;
+    parameter data.GeneralProperties C[Nc] = {meth, eth, wat};
+    Simulator.UnitOperations.Heater heater1(Pdel = 101325, Eff = 1, Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-26, -4}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    //instances of composite material stream
+    Simulator.Examples.Heater.ms inlet(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-80, 4}, extent = {{-12, -12}, {12, 12}}, rotation = 0)));
+    Simulator.Examples.Heater.ms outlet(Nc = Nc, C = C, T(start = 353), x_pc(start = {{0.33, 0.33, 0.34}, {0.24, 0.31, 0.43}, {0.44, 0.34, 0.31}}), P(start = 101325)) annotation(
+      Placement(visible = true, transformation(origin = {20, 8}, extent = {{-12, -12}, {12, 12}}, rotation = 0)));
+    //instance of energy stream
+    Simulator.Streams.EnergyStream energy annotation(
+      Placement(visible = true, transformation(origin = {-75, -35}, extent = {{-13, -13}, {13, 13}}, rotation = 0)));
+  equation
+  connect(heater1.Out, outlet.In) annotation(
+      Line(points = {{-16, -4}, {8, -4}, {8, 8}}));
+  connect(inlet.Out, heater1.In) annotation(
+      Line(points = {{-68, 4}, {-58, 4}, {-58, -4}, {-36, -4}}));
+  connect(energy.Out, heater1.En) annotation(
+      Line(points = {{-62, -35}, {-62, -34.5}, {-36, -34.5}, {-36, -14}}));
+  equation
+    inlet.x_pc[1, :] = {0.33, 0.33, 0.34};
+//mixture molar composition
+    inlet.P = 202650;
+//input pressure
+    inlet.T = 320;
+//input temperature
+    inlet.F_p[1] = 100;
+//input molar flow
+    heater1.Q = 2000000;
+//heat added
+  end heat;
+end Heater;
diff --git a/src/main/Simulator/Simulator/Examples/MaterialStream.mo b/src/main/Simulator/Simulator/Examples/MaterialStream.mo
new file mode 100644
index 0000000..73d749c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/MaterialStream.mo
@@ -0,0 +1,186 @@
+within Simulator.Examples;
+
+package MaterialStream
+  extends Modelica.Icons.ExamplesPackage;
+
+  model TPflash
+  
+    //we have to first instance components to give to material stream model.
+    import data = Simulator.Files.ChemsepDatabase;
+    //instantiation of chemsep database
+    parameter data.Methanol meth;
+    //instantiation of methanol
+    parameter data.Ethanol eth;
+    //instantiation of ethanol
+    parameter data.Water wat;
+    //instantiation of water
+    extends Streams.MaterialStream(Nc = 3, C = {meth, eth, wat});
+    //material stream model is extended and values of parameters Nc and comp are given. These parameters are declared in Material stream model. We are only giving them values here.
+    //Nc - number of components, comp -  component array.
+    //start values are given for convergence
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+    //Thermodynamic package is extended. We can use other thermodynamics also(not yet added) after little modification and inclusion of residual properties equations.
+  equation
+//These are the values to be specified by user. In this P, T, mixture mole fraction and mixture molar flow is specified. These variables are declared in Material stream model, only values are given here.
+    P = 101325;
+    T = 351;
+    x_pc[1, :] = {0.33, 0.33, 0.34};
+    F_p[1] = 100;
+  end TPflash;
+
+  model TVFflash
+    // database and components are instantiated, material stream and thermodynamic package extended
+    Simulator.Files.ChemsepDatabase data;
+    parameter data.Methanol meth;
+    parameter data.Ethanol eth;
+    parameter data.Water wat;
+    extends Streams.MaterialStream(Nc = 3, C = {meth, eth, wat});
+    //Nc - number of components, comp -  component array.
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  equation
+//Here vapor phase mole fraction, temperature, mixture component mole fraction and mixture molar flow is given.
+    xvap = 0.036257;
+    T = 351;
+    x_pc[1, :] = {0.33, 0.33, 0.34};
+    F_p[1] = 31.346262;
+  end TVFflash;
+
+  model PVFflash
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Methanol meth;
+    parameter data.Ethanol eth;
+    parameter data.Water wat;
+    extends Streams.MaterialStream(Nc = 3, C = {meth, eth, wat});
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  equation
+    P = 101325;
+    xvap = 0.036257;
+    x_pc[1, :] = {0.33, 0.33, 0.34};
+    F_p[1] = 100;
+  end PVFflash;
+
+
+
+  model PHflash
+    //we have to first instance components to give to material stream model.
+    import data = Simulator.Files.ChemsepDatabase;
+    //instantiation of chemsep database
+    parameter data.Methanol meth;
+    //instantiation of methanol
+    parameter data.Ethanol eth;
+    //instantiation of ethanol
+    parameter data.Water wat;
+    //instantiation of water
+    extends Streams.MaterialStream(Nc = 3, C = {meth, eth, wat});
+    //material stream model is extended and values of parameters Nc and comp are given. These parameters are declred in Material stream model. We are only giving them values here.
+    //we need to give proper initialization values for converging, Initialization values are provided for totMolFlo, compMolFrac and T while extending.
+    //Nc - number of components, comp -  component array.
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+    //Thermodynamic package is extended. We can use other thermodynamics also(not yet added) after little modification and inclusion of residual properties equations.
+  equation
+//These are the values to be specified by user. In this P, mixture molar enthalpy, mixture mole fraction and mixture molar flow is specified. These variables are declared in Material stream model, only values are given here.
+    P = 101325;
+    H_p[1] = -34452;
+    x_pc[1, :] = {0.33, 0.33, 0.34};
+//1 stands for mixture
+    F_p[1] = 31.346262;
+//1 stands for mixture
+  end PHflash;
+
+  model PSflash
+    //we have to first instance components to give to material stream model.
+    import data = Simulator.Files.ChemsepDatabase;
+    //instantiation of chemsep database
+    parameter data.Methanol meth;
+    //instantiation of methanol
+    parameter data.Ethanol eth;
+    //instantiation of ethanol
+    parameter data.Water wat;
+    //instantiation of water
+    extends Streams.MaterialStream(Nc = 3, C = {meth, eth, wat});
+    //material stream model is extended and values of parameters Nc and comp are given. These parameters are declred in Material stream model. We are only giving them values here.
+    //we need to give proper initialization values for converging, Initialization values are provided for totMolFlo, compMolFrac and T while extending.
+    //Nc - number of components, comp -  component array.
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+    //Thermodynamic package is extended. We can use other thermodynamics also(not yet added) after little modification and inclusion of residual properties equations.
+  equation
+//These are the values to be specified by user. In this P, mixture molar enthalpy, mixture mole fraction and mixture molar flow is specified. These variables are declared in Material stream model, only values are given here.
+    P = 101325;
+    S_p[1] = -84.39;
+    x_pc[1, :] = {0.33, 0.33, 0.34};
+//1 stands for mixture
+    F_p[1] = 31.346262;
+//1 stands for mixture
+  end PSflash;
+
+  model BelBubl "material stream below bubble point"
+    //we have to first instance components to give to material stream model.
+    import data = Simulator.Files.ChemsepDatabase;
+    //instantiation of chemsep database
+    parameter data.Methanol meth;
+    //instantiation of methanol
+    parameter data.Ethanol eth;
+    //instantiation of ethanol
+    parameter data.Water wat;
+    //instantiation of water
+    extends Streams.MaterialStream(Nc = 3, C = {meth, eth, wat});
+    //material stream model is extended and values of parameters Nc and comp are given. These parameters are declared in Material stream model. We are only giving them values here.
+    //Nc - number of components, comp -  component array.
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+    //Thermodynamic package is extended. We can use other thermodynamics also(not yet added) after little modification and inclusion of residual properties equations.
+  equation
+//These are the values to be specified by user. In this P, T, mixture mole fraction and mixture molar flow is specified. These variables are declared in Material stream model, only values are given here.
+    P = 202650;
+    T = 320;
+    x_pc[1, :] = {0.33, 0.33, 0.34};
+//1 stands for mixture
+    F_p[1] = 31.346262;
+//1 stands for mixture
+  end BelBubl;
+
+  model UNIQUAC
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Ethanol eth;
+    parameter data.Water wat;
+    extends Simulator.Streams.MaterialStream(Nc = 2, C = {eth, wat}, Pbubl(start = 101325), Pdew(start = 101325), x_pc(each start = 0.33), xvap(start = 0.68));
+    extends Simulator.Files.ThermodynamicPackages.UNIQUAC;
+  equation
+    x_pc[1, :] = {0.5, 0.5};
+    F_p[1] = 50;
+    P = 101325;
+    T = 354;
+  end UNIQUAC;
+
+  model NRTL
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Onehexene ohex;
+    parameter data.Ethanol eth;
+    extends Simulator.Streams.MaterialStream(Nc = 2, C = {ohex, eth}, x_pc(each start = 0.33));
+    extends Simulator.Files.ThermodynamicPackages.NRTL;
+  equation
+    x_pc[1, :] = {0.5, 0.5};
+    F_p[1] = 100;
+    P = 101325;
+    T = 330;
+  end NRTL;
+
+  model GraysonStreed
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Ethylene eth;
+    parameter data.Acetylene acet;
+    parameter data.OneOnedichloroethane dich;
+    parameter data.Propadiene prop;
+    //w=Acentric Factor
+    //Sp = Solublity Parameter
+    //V = Molar Volume
+    //All the above three parameters have to be mentioned as arguments while extending the thermodynamic Package Grayson Streed  as shown below
+    extends Simulator.Files.ThermodynamicPackages.GraysonStreed(W_c = {0.0949, 0.1841, 0.244612, 0.3125}, SP_c = {0.00297044, 0.00449341, 0.00437069, 0.00419199}, V_c = {61, 42.1382, 84.7207, 60.4292});
+    extends Simulator.Streams.MaterialStream(Nc = 4, C = {eth, acet, dich, prop});
+    //Equations
+  equation
+    P = 101325;
+    T = 210.246;
+    x_pc[1, :] = {0.4, 0.2, 0.3, 0.1};
+    F_p[1] = 50;
+  end GraysonStreed;
+end MaterialStream;
diff --git a/src/main/Simulator/Simulator/Examples/Mixer.mo b/src/main/Simulator/Simulator/Examples/Mixer.mo
new file mode 100644
index 0000000..1f4b19c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Mixer.mo
@@ -0,0 +1,79 @@
+within Simulator.Examples;
+
+package Mixer
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    //This model will be instantiated in maintest model as material streams
+    extends Simulator.Streams.MaterialStream;
+    //material stream extended
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+    //thermodynamic package Raoults law is extended
+  end ms;
+
+  model mix
+    extends Modelica.Icons.Example;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Ethanol eth;
+    parameter data.Methanol meth;
+    parameter data.Water wat;
+    parameter Integer Nc = 3;
+    parameter data.GeneralProperties C[Nc] = {meth, eth, wat};
+    ms ms1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-84, 88}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms ms2(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-84, 58}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms ms3(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-86, 24}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms ms4(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-84, -16}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms ms5(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-84, -52}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    ms ms6(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-82, -86}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.UnitOperations.Mixer mixer1(Nc = Nc, NI = 6, C = C, outPress = "Inlet_Average") annotation(
+      Placement(visible = true, transformation(origin = {-8, 2}, extent = {{-20, -20}, {20, 20}}, rotation = 0)));
+    ms out1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {62, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  
+  equation
+    connect(mixer1.outlet, out1.In) annotation(
+      Line(points = {{12, 2}, {52, 2}, {52, 2}, {52, 2}}, color = {0, 70, 70}));
+    connect(ms6.Out, mixer1.inlet[6]) annotation(
+      Line(points = {{-72, -86}, {-28, -86}, {-28, 2}, {-28, 2}}, color = {0, 70, 70}));
+    connect(ms5.Out, mixer1.inlet[5]) annotation(
+      Line(points = {{-74, -52}, {-28, -52}, {-28, 2}, {-28, 2}}, color = {0, 70, 70}));
+    connect(ms4.Out, mixer1.inlet[4]) annotation(
+      Line(points = {{-74, -16}, {-28, -16}, {-28, 2}, {-28, 2}}, color = {0, 70, 70}));
+    connect(ms3.Out, mixer1.inlet[3]) annotation(
+      Line(points = {{-76, 24}, {-28, 24}, {-28, 2}, {-28, 2}}, color = {0, 70, 70}));
+    connect(ms2.Out, mixer1.inlet[2]) annotation(
+      Line(points = {{-74, 58}, {-28, 58}, {-28, 2}, {-28, 2}}, color = {0, 70, 70}));
+    connect(ms1.Out, mixer1.inlet[1]) annotation(
+      Line(points = {{-74, 88}, {-28, 88}, {-28, 2}, {-28, 2}}, color = {0, 70, 70}));
+    ms1.P = 101325;
+    ms2.P = 202650;
+    ms3.P = 126523;
+    ms4.P = 215365;
+    ms5.P = 152365;
+    ms6.P = 152568;
+    ms1.T = 353;
+    ms2.T = 353;
+    ms3.T = 353;
+    ms4.T = 353;
+    ms5.T = 353;
+    ms6.T = 353;
+    ms1.F_p[1] = 100;
+    ms2.F_p[1] = 100;
+    ms3.F_p[1] = 300;
+    ms4.F_p[1] = 500;
+    ms5.F_p[1] = 400;
+    ms6.F_p[1] = 200;
+    ms1.x_pc[1, :] = {0.25, 0.25, 0.5};
+    ms2.x_pc[1, :] = {0, 0, 1};
+    ms3.x_pc[1, :] = {0.3, 0.3, 0.4};
+    ms4.x_pc[1, :] = {0.25, 0.25, 0.5};
+    ms5.x_pc[1, :] = {0.2, 0.4, 0.4};
+    ms6.x_pc[1, :] = {0, 1, 0};
+  end mix;
+end Mixer;
diff --git a/src/main/Simulator/Simulator/Examples/PFR.mo b/src/main/Simulator/Simulator/Examples/PFR.mo
new file mode 100644
index 0000000..b89f5f4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/PFR.mo
@@ -0,0 +1,52 @@
+within Simulator.Examples;
+
+package PFR
+  extends Modelica.Icons.ExamplesPackage;
+  model MS
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end MS;
+
+  model PFR_Test_II
+    extends Modelica.Icons.Example;
+  //*****Advicable to Select the First Component as the Base Component*****\\
+  //========================================================================
+  //Header Files and Packages
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Ethyleneoxide eth;
+    parameter data.Ethyleneglycol eg;
+    parameter data.Water wat;
+    parameter Integer Nc = 3;
+    parameter data.GeneralProperties C[Nc] = {eth, wat, eg};
+  
+  //========================================================================
+  //Instantiation of Streams and Blocks
+   Simulator.Examples.PFR.MS S1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-70, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+   Simulator.Examples.PFR.MS S2(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {90, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+   Simulator.UnitOperations.PFR.PFR B1(C = {eth, wat, eg}, Mode = "Isothermal",Nc = 3, Nr = 1, Pdel = 90.56, Phase = "Mixture",  Tdef = 360,Basis="Molar Concentration") annotation(
+      Placement(visible = true, transformation(origin = { 3, -1}, extent = {{-33, -33}, {33, 33}}, rotation = 0)));
+   Simulator.Streams.EnergyStream Energy annotation(
+      Placement(visible = true, transformation(origin = {-14, -54}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    
+  equation
+  
+  //========================================================================
+  //Connections
+    connect(Energy.Out, B1.En) annotation(
+      Line(points = {{-4, -54}, {2, -54}, {2, 0}, {4, 0}}, color = {255, 0, 0}));
+    connect(B1.Out, S2.In) annotation(
+      Line(points = {{36, 0}, {80, 0}, {80, 0}, {80, 0}}, color = {0, 70, 70}));
+    connect(S1.Out, B1.In) annotation(
+      Line(points = {{-60, 0}, {-30, 0}, {-30, 0}, {-30, 0}}, color = {0, 70, 70}));
+
+  //========================================================================
+  //Inputs and Specifications
+    S1.x_pc[1, :] = {0.2, 0.8, 0};
+    S1.P = 100000;
+    S1.T = 360;
+    S1.F_p[1] = 100;
+    B1.X_r[1] =0.0991;
+  end PFR_Test_II;
+end PFR;
diff --git a/src/main/Simulator/Simulator/Examples/Pump.mo b/src/main/Simulator/Simulator/Examples/Pump.mo
new file mode 100644
index 0000000..939ab5a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Pump.mo
@@ -0,0 +1,47 @@
+within Simulator.Examples;
+
+package Pump
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model main
+    extends Modelica.Icons.Example;
+  //=====================================================================
+  //Header Files and Parameters
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+  //=====================================================================
+  //Instantiation of Streams and Blocks
+    Simulator.Examples.Pump.ms S1(Nc = 2, C = {benz, tol}) annotation(
+      Placement(visible = true, transformation(origin = {-70, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.UnitOperations.CentrifugalPump B1(C = {benz, tol}, Nc = 2, Eff = 0.75) annotation(
+      Placement(visible = true, transformation(origin = {-8.99281e-15, -2}, extent = {{-14, -14}, {14, 14}}, rotation = 0)));
+    Simulator.Examples.Pump.ms S2(Nc = 2, C = {benz, tol}) annotation(
+      Placement(visible = true, transformation(origin = {64, 12}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Streams.EnergyStream E1 annotation(
+      Placement(visible = true, transformation(origin = {-38, -44}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  equation
+   
+  //=====================================================================
+  //Connections
+   connect(E1.Out, B1.En) annotation(
+      Line(points = {{-28, -44}, {0, -44}, {0, -12}, {0, -12}}, color = {255, 0, 0}));
+    connect(B1.Out, S2.In) annotation(
+      Line(points = {{14, 12}, {54, 12}, {54, 12}, {54, 12}}, color = {0, 70, 70}));
+    connect(S1.Out, B1.In) annotation(
+      Line(points = {{-60, 0}, {-14, 0}}, color = {0, 70, 70}));
+
+  //=====================================================================
+//Inputs and Specifications
+    S1.F_p[1] = 100;
+    S1.x_pc[1, :] = {0.5, 0.5};
+    S1.P = 101325;
+    S1.T = 300;
+    B1.Pdel = 101325;
+  end main;
+end Pump;
diff --git a/src/main/Simulator/Simulator/Examples/ShortcutColumn.mo b/src/main/Simulator/Simulator/Examples/ShortcutColumn.mo
new file mode 100644
index 0000000..ebcd218
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/ShortcutColumn.mo
@@ -0,0 +1,70 @@
+within Simulator.Examples;
+
+package ShortcutColumn
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model Shortcut
+    extends Simulator.UnitOperations.ShortcutColumn;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end Shortcut;
+
+  model main
+    extends Modelica.Icons.Example;
+  
+  //******Use Non-Linear Solver "Homotopy" for Solving this Model******\\
+  //============================================================================
+  //Header Files and Parameters
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    parameter Integer Nc = 2;
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] = {benz, tol};
+    
+  //============================================================================
+  //Instantiation of Streams and Blocks
+    Simulator.Examples.ShortcutColumn.ms S1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-70, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.ShortcutColumn.ms S3(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {62, -30}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.ShortcutColumn.ms S2(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {62, 30}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream E1 annotation(
+      Placement(visible = true, transformation(origin = {60, 60}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Streams.EnergyStream E2 annotation(
+      Placement(visible = true, transformation(origin = {62, -60}, extent = {{10, -10}, {-10, 10}}, rotation = 0)));
+    Simulator.Examples.ShortcutColumn.Shortcut B1(Nc = Nc, C = C, HKey = 2, LKey = 1) annotation(
+      Placement(visible = true, transformation(origin = {4, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  equation
+  
+  
+  //============================================================================
+  //Connections
+    connect(B1.En1, E1.In) annotation(
+      Line(points = {{30, 60}, {50, 60}, {50, 60}, {50, 60}}, color = {255, 0, 0}));
+    connect(E2.Out, B1.En2) annotation(
+      Line(points = {{52, -60}, {28, -60}, {28, -60}, {30, -60}}, color = {255, 0, 0}));
+    connect(B1.Out2, S3.In) annotation(
+      Line(points = {{30, -30}, {52, -30}, {52, -30}, {52, -30}}, color = {0, 70, 70}));
+    connect(B1.Out1, S2.In) annotation(
+      Line(points = {{30, 30}, {52, 30}, {52, 30}, {52, 30}}, color = {0, 70, 70}));
+    connect(S1.Out, B1.In) annotation(
+      Line(points = {{-60, 0}, {-20, 0}, {-20, 0}, {-20, 0}}, color = {0, 70, 70}));
+    
+  //============================================================================
+//Inputs and Specifications
+    S1.P = 101325;
+    S1.T = 370;
+    S1.x_pc[1, :] = {0.5, 0.5};
+    S1.F_p[1] = 100;
+    B1.Preb = 101325;
+    B1.Pcond = 101325;
+    B1.x_pc[2, B1.LKey] = 0.01;
+    B1.x_pc[3, B1.HKey] = 0.01;
+    B1.RR = 2;
+  end main;
+end ShortcutColumn;
diff --git a/src/main/Simulator/Simulator/Examples/Splitter.mo b/src/main/Simulator/Simulator/Examples/Splitter.mo
new file mode 100644
index 0000000..cd39347
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Splitter.mo
@@ -0,0 +1,51 @@
+within Simulator.Examples;
+
+package Splitter
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    extends Simulator.Streams.MaterialStream;
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+  end ms;
+
+  model main
+    extends Modelica.Icons.Example;
+  //===============================================================
+  //Header Files and Parameters
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.Benzene benz;
+    parameter data.Toluene tol;
+    parameter Integer Nc = 2;
+    parameter data.GeneralProperties C[Nc] = {benz, tol};
+    
+  //===============================================================
+  //Instantiation of Streams and Blocks
+    Simulator.Examples.Splitter.ms S1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-70, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Splitter.ms S2(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {38, 12}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Splitter.ms S3(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {38, -16}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.UnitOperations.Splitter B1(Nc = Nc, C = C, No = 2, CalcType = "Molar_Flow") annotation(
+      Placement(visible = true, transformation(origin = {-10, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  equation
+  
+  
+  //===============================================================
+  //Connections
+    connect(B1.Out[2], S3.In) annotation(
+      Line(points = {{0, 0}, {12, 0}, {12, -16}, {28, -16}}, color = {0, 70, 70}));
+    connect(B1.Out[1], S2.In) annotation(
+      Line(points = {{0, 0}, {12, 0}, {12, 12}, {28, 12}}, color = {0, 70, 70}));
+    connect(S1.Out, B1.In) annotation(
+      Line(points = {{-60, 0}, {-20, 0}, {-20, 0}, {-20, 0}}, color = {0, 70, 70}));
+
+  //===============================================================
+  //Inputs and Specifications
+    S1.P = 101325;
+    S1.T = 300;
+    S1.x_pc[1, :] = {0.5, 0.5};
+    S1.F_p[1] = 100;
+    B1.SpecVal_s = {20, 80};
+  end main;
+end Splitter;
diff --git a/src/main/Simulator/Simulator/Examples/Valve.mo b/src/main/Simulator/Simulator/Examples/Valve.mo
new file mode 100644
index 0000000..a1f3766
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/Valve.mo
@@ -0,0 +1,47 @@
+within Simulator.Examples;
+
+package Valve
+  extends Modelica.Icons.ExamplesPackage;
+  model ms
+    //This model will be instantiated in maintest model as outlet stream of valve. Dont run this model. Run maintest model for valve test
+    extends Simulator.Streams.MaterialStream;
+    //material stream extended
+    extends Simulator.Files.ThermodynamicPackages.RaoultsLaw;
+    //thermodynamic package Raoults law is extended
+  end ms;
+
+  model valve
+    extends Modelica.Icons.Example;
+    import data = Simulator.Files.ChemsepDatabase;
+    //instantiation of chemsep database
+    parameter data.Methanol meth;
+    //instantiation of methanol
+    parameter data.Ethanol eth;
+    //instantiation of ethanol
+    parameter data.Water wat;
+    //instantiation of water
+    parameter Integer Nc = 3;
+    parameter data.GeneralProperties C[Nc] = {meth, eth, wat};
+    Simulator.UnitOperations.Valve valve1(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {0, 4}, extent = {{-14, -14}, {14, 14}}, rotation = 0)));
+    Simulator.Examples.Valve.ms inlet(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {-74, 4}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Examples.Valve.ms outlet(Nc = Nc, C = C) annotation(
+      Placement(visible = true, transformation(origin = {71, 3}, extent = {{-11, -11}, {11, 11}}, rotation = 0)));
+  equation
+    connect(valve1.Out, outlet.In) annotation(
+      Line(points = {{14, 4}, {35, 4}, {35, 3}, {60, 3}}, color = {0, 70, 70}));
+    connect(inlet.Out, valve1.In) annotation(
+      Line(points = {{-64, 4}, {-14, 4}}, color = {0, 70, 70}));
+    inlet.x_pc[1, :] = {0.33, 0.33, 0.34};
+//mixture molar composition
+    inlet.P = 202650;
+//input pressure
+    valve1.Pdel = 101325;
+//Pressure Drop
+    inlet.T = 372;
+//input temperature
+    inlet.F_p[1] = 100;
+//input molar flow
+  end valve;
+end Valve;
diff --git a/src/main/Simulator/Simulator/Examples/package.mo b/src/main/Simulator/Simulator/Examples/package.mo
new file mode 100644
index 0000000..8be84f5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/package.mo
@@ -0,0 +1,4 @@
+within Simulator;
+package Examples
+  extends Modelica.Icons.ExamplesPackage;
+end Examples;
diff --git a/src/main/Simulator/Simulator/Examples/package.order b/src/main/Simulator/Simulator/Examples/package.order
new file mode 100644
index 0000000..7e198d6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Examples/package.order
@@ -0,0 +1,19 @@
+MaterialStream
+CompositeMS
+Heater
+HeatExchanger
+Cooler
+Valve
+Mixer
+CompoundSeparator
+ShortcutColumn
+Flash
+Splitter
+Pump
+Compressor
+Expander
+Distillation
+PFR
+CR
+Absorption
+EquilibriumReactor
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acenaphthene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acenaphthene.mo
new file mode 100644
index 0000000..9eaf293
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acenaphthene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Acenaphthene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 177, name = "Acenaphthene", CAS = "83-32-9", Tc = 803.15, Pc = 3100000, Vc = 0.553, Cc = 0.257, Tb = 550.54, Tm = 366.56, TT = 366.56, TP = 199.997, MW = 154.208, LVB = 0.149792, AF = 0.381147, SP = 19480, DM = 8.5E-31, SH = -168070000.0, IGHF = 1.55E+08, GEF = 2.602E+08, AS = 368900, HFMP = 2.1462E+07, HOC = -6.0014E+09, LiqDen = {105, 0.39942, 0.22066, 803.15, 0.24043, 0}, VP = {101, 73.737, -9735.5, -7.1321, 0.0000016079, 2}, LiqCp = {16, 173930, 379.65, 5.6292, 0.017939, -0.000013551}, HOV = {106, 3.785978E+08, 10.14483, -25.41937, 26.03775, -9.982155}, VapCp = {16, 60762, -515.4, 13.307, -0.000026823, -1.013E-08}, LiqVis = {101, -8.2073, 1373.2, -0.25871, -0.0000036859, 2}, VapVis = {102, 0.0000015547, 0.4064, 630.11, 26.274, 0}, LiqK = {16, 0.059552, -91.592, -1.7169, -0.0019056, 1.2951E-07}, VapK = {102, 0.000078027, 1.0286, 593.39, 37622, 0}, Racketparam = 0.257114, UniquacR = 5.997356, UniquacQ = 3.96, ChaoSeadAF = 0.382, ChaoSeadSP = 19480.5, ChaoSeadLV = 0.149792);
+end Acenaphthene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetaldehyde.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetaldehyde.mo
new file mode 100644
index 0000000..2dfb3e9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetaldehyde.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Acetaldehyde
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 46, name = "Acetaldehyde", CAS = "75-07-0", Tc = 466, Pc = 5550000, Vc = 0.154, Cc = 0.221, Tb = 294, Tm = 150.15, TT = 150.15, TP = 0.323203, MW = 44.0526, LVB = 0.0568878, AF = 0.290734, SP = 20110, DM = 8.97E-30, SH = -166400000.0, IGHF = -1.664E+08, GEF = -1.333E+08, AS = 264200, HFMP = 3220000, HOC = -1.1045E+09, LiqDen = {105, 1.2346, 0.22392, 466, 0.25025, 0}, VP = {101, 132.6058, -7086.883, -17.42481, 0.0000237457, 2}, LiqCp = {16, 72077, 1068.4, -6.4275, 0.06878, -0.000079154}, HOV = {106, 1.4565E+07, -6.1925, 18.559, -20.707, 8.5605}, VapCp = {16, 42578, -730.39, 11.883, 0.000033485, -3.0296E-08}, LiqVis = {101, -4.0316, 623.05, -1.1589, 8.4583E-07, 2}, VapVis = {102, 1.1933E-07, 0.78879, 65.293, 1023.3, 0}, LiqK = {16, 0.014392, -40.45, -0.67323, -0.0036191, 0.0000011083}, VapK = {102, 3.2627E-07, 1.8293, -23.073, 3397.7, 0}, Racketparam = 0, UniquacR = 1.9, UniquacQ = 1.8, ChaoSeadAF = 0.316685, ChaoSeadSP = 19818.5, ChaoSeadLV = 0.0564965);
+end Acetaldehyde;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Aceticacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Aceticacid.mo
new file mode 100644
index 0000000..33cadcf
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Aceticacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Aceticacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 48, name = "Aceticacid", CAS = "64-19-7", Tc = 594.45, Pc = 5790000, Vc = 0.171, Cc = 0.2, Tb = 391.04, Tm = 289.81, TT = 289.81, TP = 1280, MW = 60.053, LVB = 0.05753, AF = 0.46, SP = 19060, DM = 5.8E-30, SH = -52630000.0, IGHF = -4.328E+08, GEF = -3.745E+08, AS = 282500, HFMP = 1.173E+07, HOC = -7.866E+08, LiqDen = {105, 1.0627, 0.22174, 594.76, 0.22566, 0}, VP = {101, 87.50607, -7603.906, -9.655308, 7.168835E-06, 2}, LiqCp = {16, 49034, 1051.1, 0.77564, 0.031667, -0.000028344}, HOV = {106, 6.6203E+07, 6.7121, -17.45, 17.2, -6.0038}, VapCp = {16, 40110, -588.24, 12.017, 0.00016249, -8.6918E-08}, LiqVis = {101, -58.528, 2990.9, 7.4911, -0.000011028, 2}, VapVis = {102, 4.3395E-09, 1.24, -175.09, 25013, 0}, LiqK = {16, 0.11159, -531.13, 1.6359, -0.009369, -7.1996E-07}, VapK = {102, 0.34137, -0.80579, -824.3, 175840, 0}, Racketparam = 0, UniquacR = 2.23, UniquacQ = 2.04, ChaoSeadAF = 0.4566, ChaoSeadSP = 18501.7, ChaoSeadLV = 0.0575804);
+end Aceticacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Aceticanhydride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Aceticanhydride.mo
new file mode 100644
index 0000000..6218d86
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Aceticanhydride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Aceticanhydride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 404, name = "Aceticanhydride", CAS = "108-24-7", Tc = 569.15, Pc = 4280000, Vc = 0.29, Cc = 0.23, Tb = 413.15, Tm = 200.15, TT = 200.15, TP = 0.0219995, MW = 102.089, LVB = 0.0949602, AF = 0.809524, SP = 22010, DM = 9.3E-30, SH = -22600000.0, IGHF = -5.735E+08, GEF = -4.767E+08, AS = 389900, HFMP = 1.05E+07, HOC = -1.675E+09, LiqDen = {105, 1.3543, 0.3062, 584.65, 0.43334, 0}, VP = {101, 94.79499, -8627.117, -10.49847, 0.0000051448, 2}, LiqCp = {16, -76055, 674.26, 4.7415, 0.026829, -0.000028167}, HOV = {106, 4.787557E+07, -0.639261, 1.651354, -0.778133, -0.0411955}, VapCp = {16, 63862, -716.36, 13.016, -0.00041944, 1.1702E-07}, LiqVis = {101, -13.196, 1321.3, 0.29135, 3.1938E-07, 2}, VapVis = {102, 1.3132E-07, 0.7781, 96.036, 3593.8, 0}, LiqK = {16, 0.0017236, -11.978, -1.3413, -0.0012823, -6.1388E-07}, VapK = {102, 0.0003967, 0.81349, 426.6, 140300, 0}, Racketparam = 0.23, UniquacR = 3.586025, UniquacQ = 3.224, ChaoSeadAF = 0.453, ChaoSeadSP = 22010, ChaoSeadLV = 0.0949602);
+end Aceticanhydride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetone.mo
new file mode 100644
index 0000000..81c392a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Acetone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 62, name = "Acetone", CAS = "67-64-1", Tc = 508.1, Pc = 4700000, Vc = 0.209, Cc = 0.233, Tb = 329.22, Tm = 178.45, TT = 178.45, TP = 2.78509, MW = 58.08, LVB = 0.07394, AF = 0.307, SP = 19730, DM = 9.61E-30, SH = 20230000.0, IGHF = -2.157E+08, GEF = -1.513E+08, AS = 295400, HFMP = 5774000, HOC = -1.659E+09, LiqDen = {105, 1.1051, 0.24556, 508.21, 0.27409, 0}, VP = {101, 72.77713, -5752.936, -7.680083, 6.83076E-06, 2}, LiqCp = {16, 107130, 725.57, 0.95296, 0.025981, -0.00001439}, HOV = {106, 6.6943E+07, 3.4736, -8.9271, 10.062, -4.1656}, VapCp = {16, 52915, -669.27, 12.201, 0.00012839, -5.8844E-08}, LiqVis = {101, -14.064, 1000.7, 0.45349, 3.9456E-07, 2}, VapVis = {102, 3.1012E-08, 0.97616, 23.042, 14.834, 0}, LiqK = {16, 0.01013, -95.32, -0.21151, -0.0052616, 0.0000023043}, VapK = {102, -26.882, 0.9036, -1.2095E+08, -6.0879E+08, 0}, Racketparam = 0, UniquacR = 2.5735, UniquacQ = 2.336, ChaoSeadAF = 0.3099, ChaoSeadSP = 19729.7, ChaoSeadLV = 0.0738386);
+end Acetone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetonitrile.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetonitrile.mo
new file mode 100644
index 0000000..767102b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetonitrile.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Acetonitrile
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 42, name = "Acetonitrile", CAS = "75-05-8", Tc = 545.5, Pc = 4830000, Vc = 0.173, Cc = 0.184, Tb = 354.75, Tm = 229.32, TT = 229.32, TP = 186.945, MW = 41.0519, LVB = 0.0528577, AF = 0.337886, SP = 24050, DM = 1.31E-29, SH = 28450000.0, IGHF = 7.404E+07, GEF = 9.1868E+07, AS = 243290, HFMP = 8167000, HOC = -1.19043E+09, LiqDen = {105, 1.3064, 0.22597, 545.5, 0.28678, 0}, VP = {101, 63.90188, -5635.018, -6.338065, 5.801644E-06, 2}, LiqCp = {16, 78687, 635.92, 1.7473, 0.02389, -0.000017421}, HOV = {106, 4.416703E+07, 0.0989791, 1.817987, -3.443548, 1.854664}, VapCp = {16, 41003, -679.99, 11.578, 0.00010104, -4.1014E-08}, LiqVis = {101, -31.531, 1522.1, 3.3306, -0.0000059061, 2}, VapVis = {102, 5.1905E-08, 0.88581, 38.325, 87.034, 0}, LiqK = {16, 0.18265, 8401.9, -103.1, 0.40559, -0.00056286}, VapK = {102, 4.7622E-08, 2.1156, 30.88, -14671, 0}, Racketparam = 0.260911, UniquacR = 1.87, UniquacQ = 1.72, ChaoSeadAF = 0.338174, ChaoSeadSP = 24093.5, ChaoSeadLV = 0.0526772);
+end Acetonitrile;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetylchloride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetylchloride.mo
new file mode 100644
index 0000000..4b14708
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetylchloride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Acetylchloride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 40, name = "Acetylchloride", CAS = "75-36-5", Tc = 508, Pc = 5740000, Vc = 0.196, Cc = 0.266, Tb = 323.9, Tm = 160.3, TT = 160.3, TP = 0.0945737, MW = 78.4976, LVB = 0.0713449, AF = 0.334018, SP = 19730, DM = 9.07E-30, SH = 28450000.0, IGHF = -2.4351E+08, GEF = -2.058E+08, AS = 295000, HFMP = 2.75307E+08, HOC = -8.7599E+08, LiqDen = {105, 1.4254, 0.27938, 508, 0.26304, 0}, VP = {101, 99.17638, -7177.914, -11.22425, -0.0000057394, 2}, LiqCp = {16, 42690, 1356.4, -2.0032, 0.038796, -0.000032805}, HOV = {106, 4.0E+07, 0.3, 0, 0, 0}, VapCp = {16, 55490, -733.46, 11.97, -0.00022853, 6.1958E-08}, LiqVis = {101, 4.4371, 130.26, -2.2299, -8.5166E-07, 2}, VapVis = {102, 5.0377E-08, 0.94052, 79.768, -9041.6, 0}, LiqK = {16, 0.11965, 1957.5, -32.911, 0.1548, -0.00027429}, VapK = {102, -27944, 0.34599, -4.878E+09, -7.8546E+10, 0}, Racketparam = 0.26125, UniquacR = 2.438365, UniquacQ = 2.208, ChaoSeadAF = 0.334018, ChaoSeadSP = 20189.2, ChaoSeadLV = 0.0712327);
+end Acetylchloride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetylene.mo
new file mode 100644
index 0000000..9991dc1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acetylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Acetylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 37, name = "Acetylene", CAS = "74-86-2", Tc = 308.3, Pc = 6114000, Vc = 0.1122, Cc = 0.268, Tb = 188.4, Tm = 192.4, TT = 192.4, TP = 127445, MW = 26.038, LVB = 0.04347, AF = 0.189, SP = 7921, DM = 0, SH = 228200000.0, IGHF = 2.282E+08, GEF = 2.1068E+08, AS = 200810, HFMP = 3770000, HOC = -1.257E+09, LiqDen = {105, 2.8265, 0.29316, 308.3, 0.31711, 0}, VP = {101, 82.22155, -3603.253, -10.0271, 0.0000269397, 2}, LiqCp = {16, 79227, 3177.2, -44.249, 0.23814, -0.00030171}, HOV = {106, 3.8817E+07, 1.497, -1.0261, 0.037348, -0.024401}, VapCp = {16, 28271.69, -404.2493, 11.05572, -0.000229636, 1.424209E-07}, LiqVis = {101, -10.822, 283.23, 0.22007, -0.0000091126, 2}, VapVis = {102, 0.0000010997, 0.50414, 259.72, 2787.3, 0}, LiqK = {16, -0.060328, -110.3, 0.44567, -0.0073832, 0.0000024581}, VapK = {102, 0.000078096, 1.0286, -36.515, 33144, 0}, Racketparam = 0.2712, UniquacR = 1.52, UniquacQ = 1.39, ChaoSeadAF = 0.1841, ChaoSeadSP = 18813, ChaoSeadLV = 0.0421382);
+end Acetylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acrylicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acrylicacid.mo
new file mode 100644
index 0000000..f8f90b4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acrylicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Acrylicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 394, name = "Acrylicacid", CAS = "79-10-7", Tc = 654.15, Pc = 5664070, Vc = 0.210712, Cc = 0.23, Tb = 414.15, Tm = 286.15, TT = 286.15, TP = 257.117, MW = 72.0627, LVB = 0.068927, AF = 0.220736, SP = 19230, DM = 4.87E-30, SH = -22600000.0, IGHF = -3.371E+08, GEF = -2.861E+08, AS = 315000, HFMP = 1.117E+07, HOC = -1.28022E+09, LiqDen = {105, 0.11535, 0.078693, 654.15, 0.16945, 0}, VP = {101, 55.86645, -7062.889, -4.564151, 1.238643E-06, 2}, LiqCp = {16, 142250, 1837.1, -38.373, 0.21763, -0.00027035}, HOV = {106, 6.9258E+07, 1.9796, 2.7587, -12.283, 8.2823}, VapCp = {16, 49916, -589.6, 12.259, -0.00013536, 3.0855E-08}, LiqVis = {101, -113.67, 5526.6, 15.75, -0.000015983, 2}, VapVis = {102, 2.4666E-07, 0.69704, 207.66, -6104.4, 0}, LiqK = {16, -0.40695, 33.472, -0.79449, 0.00078306, -0.0000013868}, VapK = {102, 0.00092475, 0.70367, 626.1, 112700, 0}, Racketparam = 0.23, UniquacR = 2.6467, UniquacQ = 2.4, ChaoSeadAF = 0.538324, ChaoSeadSP = 19230, ChaoSeadLV = 0.068927);
+end Acrylicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acrylonitrile.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acrylonitrile.mo
new file mode 100644
index 0000000..558c0c3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Acrylonitrile.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Acrylonitrile
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 58, name = "Acrylonitrile", CAS = "107-13-1", Tc = 535, Pc = 4480000, Vc = 0.212, Cc = 0.214, Tb = 350.5, Tm = 189.63, TT = 189.63, TP = 3.68289, MW = 53.0626, LVB = 0.0662367, AF = 0.349801, SP = 21560, DM = 1.29E-29, SH = -47150000.0, IGHF = 1.837E+08, GEF = 1.937E+08, AS = 275300, HFMP = 6230000, HOC = -1.69E+09, LiqDen = {105, 1.0816, 0.2293, 535, 0.28939, 0}, VP = {101, 74.54771, -6259.727, -7.785577, 4.08032E-06, 2}, LiqCp = {16, 83847, 240.59, 6.8887, 0.0095277, -0.0000046046}, HOV = {106, 5.224752E+07, 0.877802, -0.432396, -0.672186, 0.607598}, VapCp = {16, 42651, -533.04, 11.728, 0.00013096, -6.2176E-08}, LiqVis = {101, -0.5429, 318.29, -1.481, -8.3759E-07, 2}, VapVis = {102, 4.616E-08, 0.90278, 67.424, -1672.6, 0}, LiqK = {16, -0.15669, 19.22, -1.0721, 0.00025871, -0.0000022582}, VapK = {102, 0.0012317, 1.2472, 60863, -1968600, 0}, Racketparam = 0.259865, UniquacR = 2.31, UniquacQ = 2.05, ChaoSeadAF = 0.349801, ChaoSeadSP = 21555.4, ChaoSeadLV = 0.0662367);
+end Acrylonitrile;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Adipicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Adipicacid.mo
new file mode 100644
index 0000000..09b05d3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Adipicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Adipicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 400, name = "Adipicacid", CAS = "124-04-9", Tc = 809, Pc = 3530000, Vc = 0.4, Cc = 0.21, Tb = 611, Tm = 426.15, TT = 425.5, TP = 78.0827, MW = 146.141, LVB = 0.133942, AF = 1.05065, SP = 25370, DM = 7.74E-30, SH = -22600000.0, IGHF = -8.65E+08, GEF = -6.82E+08, AS = 482000, HFMP = 1.67E+07, HOC = -2.58E+09, LiqDen = {105, 0.64797, 0.25918, 809, 0.28198, 0}, VP = {101, 255.2237, -23233.92, -32.83085, 0.000013435, 2}, LiqCp = {16, 235940, -32.997, 10.809, 0.0032672, -0.0000019456}, HOV = {106, 1.949255E+08, 0.823008, 2.518159, -5.646327, 2.784565}, VapCp = {16, 85474, -423.41, 12.745, 0.00026178, -1.1462E-07}, LiqVis = {101, -8.4738, 3093.2, -0.68319, 4.5668E-07, 2}, VapVis = {102, 8.6397E-08, 0.79699, 129.04, -83.45, 0}, LiqK = {16, -0.15138, 31.723, -1.1417, 0.000072402, -7.2467E-07}, VapK = {102, 0.00019846, 0.87712, 520.45, 62013, 0}, Racketparam = 0.21, UniquacR = 5.3002, UniquacQ = 4.608, ChaoSeadAF = 1.05065, ChaoSeadSP = 25370, ChaoSeadLV = 0.133942);
+end Adipicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Air.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Air.mo
new file mode 100644
index 0000000..2b397f4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Air.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Air
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 1, name = "Air", CAS = "132259-10-0", Tc = 132.45, Pc = 3774000, Vc = 0.09147, Cc = 0.313, Tb = 78.67, Tm = 59.15, TT = 59.15, TP = 5642.15, MW = 28.96, LVB = 0.0329147, AF = 0, SP = 12750, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 199000, HFMP = 0, HOC = 0, LiqDen = {105, 2.6731, 0.25637, 132.51, 0.26788, 0}, VP = {101, 14.794, -599.85, 1.0009, -3.9938E-07, 2}, LiqCp = {16, 53628, 4511.1, -143.29, 1.582, -0.0051332}, HOV = {106, 7385651, 0.276676, 0.211253, -0.836764, 0.722737}, VapCp = {100, 29562.29, -7.164949, 0.0216294, -0.0000139748, 2.89195E-09}, LiqVis = {101, -72.336, 813.48, 12.687, -0.00033062, 2}, VapVis = {102, 0.000001592, 0.48975, 123.45, -829.58, 0}, LiqK = {16, -0.21199, -16.311, -0.23057, -0.0076197, 0.0000025018}, VapK = {102, 0.0003511, 0.76492, 16.071, 1084.4, 0}, Racketparam = 0.29056, UniquacR = 0, UniquacQ = 0, ChaoSeadAF = -0.00787976, ChaoSeadSP = 12749.8, ChaoSeadLV = 0.0329147);
+end Air;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ammonia.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ammonia.mo
new file mode 100644
index 0000000..055eefc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ammonia.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ammonia
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 16, name = "Ammonia", CAS = "7664-41-7", Tc = 405.4, Pc = 1.1353E+07, Vc = 0.07247, Cc = 0.255, Tb = 239.82, Tm = 195.41, TT = 195.41, TP = 6111.09, MW = 17.031, LVB = 0.02496, AF = 0.256, SP = 24790, DM = 4.9E-30, SH = -45898000.0, IGHF = -4.5898E+07, GEF = -1.64E+07, AS = 192660, HFMP = 5657000, HOC = -3.1683E+08, LiqDen = {105, 4.0518, 0.27129, 405.4, 0.31349, 0}, VP = {101, 62.8849, -4136.862, -6.320663, 9.203947E-06, 2}, LiqCp = {16, 77659, -45330, 445.74, -1.4197, 0.0015508}, HOV = {106, 2.4542E+07, -1.3178, 4.7194, -5.4808, 2.4196}, VapCp = {16, 33239, -913.64, 10.802, 0.00021047, -4.1739E-08}, LiqVis = {101, -39.742, 1486.5, 4.7749, -0.000015796, 2}, VapVis = {102, 0.0000000459, 0.96936, 48.366, -2671.4, 0}, LiqK = {16, -0.95309, 14.684, 0.56768, -0.00028968, -0.0000019238}, VapK = {102, 0.000016165, 1.3146, 75.168, -8202.1, 0}, Racketparam = 0, UniquacR = 0.9097, UniquacQ = 0.98, ChaoSeadAF = 0.2517, ChaoSeadSP = 29224.9, ChaoSeadLV = 0.0249801);
+end Ammonia;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Aniline.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Aniline.mo
new file mode 100644
index 0000000..9ea052b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Aniline.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Aniline
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 127, name = "Aniline", CAS = "62-53-3", Tc = 699, Pc = 5310000, Vc = 0.2739, Cc = 0.256, Tb = 457.17, Tm = 267.13, TT = 267.13, TP = 7.13219, MW = 93.128, LVB = 0.09152, AF = 0.38, SP = 24120, DM = 5.1E-30, SH = -168070000.0, IGHF = 8.71E+07, GEF = 1.668E+08, AS = 319800, HFMP = 1.054E+07, HOC = -3.239E+09, LiqDen = {105, 1.0034, 0.27828, 699.16, 0.26553, 0}, VP = {101, 51.415, -7256.776, -3.968851, 1.89237E-06, 1.941839}, LiqCp = {16, 113560, -229.45, 12.348, -0.001777, 0.0000025731}, HOV = {106, 6.518054E+07, -0.829815, 5.221579, -7.587726, 3.672676}, VapCp = {16, 53776, -561.43, 12.878, -0.00018357, 4.6595E-08}, LiqVis = {101, -411.9909, 17880.72, 61.83069, -0.0000659764, 2}, VapVis = {102, 1.8398E-07, 0.71832, 209.33, -5579.1, 0}, LiqK = {16, 0.065783, -186.09, -0.85045, -0.0016475, -0.0000028261}, VapK = {102, 0.00025341, 0.90822, 897.01, -19862, 0}, Racketparam = 0, UniquacR = 3.72, UniquacQ = 2.82, ChaoSeadAF = 0.404143, ChaoSeadSP = 24125.7, ChaoSeadLV = 0.0916034);
+end Aniline;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Anisole.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Anisole.mo
new file mode 100644
index 0000000..8628dc6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Anisole.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Anisole
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 334, name = "Anisole", CAS = "100-66-3", Tc = 642.15, Pc = 4180000, Vc = 0.337, Cc = 0.267, Tb = 426.95, Tm = 235.85, TT = 235.65, TP = 2.44662, MW = 108.138, LVB = 0.109167, AF = 0.350169, SP = 20110, DM = 4.54E-30, SH = -216400000.0, IGHF = -6.8E+07, GEF = 2.27E+07, AS = 361000, HFMP = 9600000, HOC = -3.6018E+09, LiqDen = {105, 0.67524, 0.24431, 645.61, 0.26239, 0}, VP = {101, 117.0581, -9318.991, -14.12565, 9.850515E-06, 2}, LiqCp = {16, 128070, -77.615, 10.002, 0.0059631, -0.0000043683}, HOV = {106, 6.1782E+07, 0.29654, 0.81637, -1.3762, 0.64684}, VapCp = {16, -116340, -170.41, 12.829, 0.00034368, -1.0767E-07}, LiqVis = {101, -16.864, 1572.6, 0.82898, -2.2828E-07, 2}, VapVis = {102, 1.7587E-07, 0.71998, 171.18, 1705.8, 0}, LiqK = {16, -0.15959, 21.142, -1.1373, -0.0000023738, -0.0000009757}, VapK = {102, 0.00055356, 0.7624, 342.48, 235670, 0}, Racketparam = 0.267, UniquacR = 4.1667, UniquacQ = 3.208, ChaoSeadAF = 0.350169, ChaoSeadSP = 20110, ChaoSeadLV = 0.109167);
+end Anisole;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Argon.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Argon.mo
new file mode 100644
index 0000000..3241716
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Argon.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Argon
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 2, name = "Argon", CAS = "7440-37-1", Tc = 150.86, Pc = 4898000, Vc = 0.07457, Cc = 0.291, Tb = 87.27, Tm = 83.8039, TT = 83.8, TP = 68906.1, MW = 39.948, LVB = 0.0291, AF = -0.002, SP = 14138.3, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 154732, HFMP = 1184900, HOC = 0, LiqDen = {105, 3.803, 0.286, 150.86, 0.2984, 0}, VP = {101, 44.369, -1126.1, -4.5688, 0.000062339, 2}, LiqCp = {16, 46085, -1304.5, 21.195, -0.015382, 0.000033063}, HOV = {106, 7981000, 0.099752, 0.32009, -0.11898, 0.031141}, VapCp = {16, 20786, 0, 0, 0, 0}, LiqVis = {101, -99.903, 1347.5, 17.615, -0.00032893, 2}, VapVis = {102, 0.0000010023, 0.5922, 85.563, 238.26, 0}, LiqK = {16, -0.30397, -0.82999, -0.71462, -0.00039294, -0.000012209}, VapK = {102, 0.00013095, 0.81923, -122.33, 13993, 0}, Racketparam = 0, UniquacR = 1.1074, UniquacQ = 1.068, ChaoSeadAF = -0.002, ChaoSeadSP = 14138.3, ChaoSeadLV = 0.0285865);
+end Argon;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Benzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Benzene.mo
new file mode 100644
index 0000000..73a5082
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Benzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Benzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 125, name = "Benzene", CAS = "71-43-2", Tc = 562.05, Pc = 4895000, Vc = 0.256, Cc = 0.268, Tb = 353.24, Tm = 278.68, TT = 278.68, TP = 4764.22, MW = 78.114, LVB = 0.08941, AF = 0.209, SP = 18700, DM = 0, SH = -168070000.0, IGHF = 8.288E+07, GEF = 1.296E+08, AS = 269300, HFMP = 9866000, HOC = -3.136E+09, LiqDen = {105, 0.99938, 0.26348, 562.05, 0.27856, 0}, VP = {101, 88.368, -6712.9, -10.022, 0.000007694, 2}, LiqCp = {16, 111460, -1854.3, 22.399, -0.028936, 0.000028991}, HOV = {106, 4.881E+07, 0.61066, -0.25882, 0.032238, 0.022475}, VapCp = {16, 34010.24, -588.0978, 12.81777, -0.000197306, 5.142899E-08}, LiqVis = {101, -24.61, 1576.5, 2.1698, -0.0000051366, 2}, VapVis = {102, 3.1366E-08, 0.9675, 8.0285, -35.629, 0}, LiqK = {16, 0.049539, -177.97, 0.19475, -0.0073805, 0.0000027938}, VapK = {102, 0.0000049549, 1.4519, 154.14, 26202, 0}, Racketparam = 0.2696, UniquacR = 3.1878, UniquacQ = 2.4, ChaoSeadAF = 0.213, ChaoSeadSP = 18736.78, ChaoSeadLV = 0.0894);
+end Benzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Benzoicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Benzoicacid.mo
new file mode 100644
index 0000000..561a8a9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Benzoicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Benzoicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 396, name = "Benzoicacid", CAS = "65-85-0", Tc = 751, Pc = 4470000, Vc = 0.344, Cc = 0.246, Tb = 523.15, Tm = 395.55, TT = 395.45, TP = 795.501, MW = 122.121, LVB = 0.112442, AF = 0.602794, SP = 24590, DM = 3.34E-30, SH = -22600000.0, IGHF = -2.902E+08, GEF = -2.142E+08, AS = 369000, HFMP = 1.807E+07, HOC = -3.0951E+09, LiqDen = {105, 0.7147, 0.24811, 751, 0.28445, 0}, VP = {101, 444.4847, -30166.81, -61.25117, 0.000029739, 2}, LiqCp = {16, 78008, 1056.8, 2.5621, 0.02421, -0.000017579}, HOV = {106, 6.7437E+07, 0.13946, -2.3071, 5.0416, -2.5138}, VapCp = {16, 71253, -905.31, 13.682, -0.00087786, 2.5351E-07}, LiqVis = {101, -204.19, 11713, 28.642, -0.000020228, 2}, VapVis = {102, 7.426E-08, 0.8289, 91.171, 5.6616, 0}, LiqK = {16, -0.26694, 24.352, -0.89204, 0.00010336, -5.9141E-07}, VapK = {102, 0.000021559, 1.1593, 126.16, 64371, 0}, Racketparam = 0.246, UniquacR = 4.323, UniquacQ = 3.344, ChaoSeadAF = 0.602794, ChaoSeadSP = 24590, ChaoSeadLV = 0.112442);
+end Benzoicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Biphenyl.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Biphenyl.mo
new file mode 100644
index 0000000..1aa21e6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Biphenyl.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Biphenyl
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 178, name = "Biphenyl", CAS = "92-52-4", Tc = 789.26, Pc = 3847270, Vc = 0.491118, Cc = 0.294, Tb = 528.15, Tm = 342.35, TT = 342.372, TP = 84.2725, MW = 154.211, LVB = 0.155536, AF = 0.3643, SP = 19383, DM = 0, SH = -168070000.0, IGHF = 1.82088E+08, GEF = 2.80077E+08, AS = 392668, HFMP = 1.85769E+07, HOC = -6.0317E+09, LiqDen = {105, 0.50803, 0.25417, 789.26, 0.2795, 0}, VP = {101, 154.3401, -13555.42, -19.05582, 8.30386E-06, 2}, LiqCp = {16, 24132, -12.395, 11.585, 0.0029407, -0.0000014331}, HOV = {106, 8.680865E+07, 0.473092, 1.061004, -2.226343, 1.156876}, VapCp = {16, 79583, -635.84, 13.574, -0.00034935, 9.291E-08}, LiqVis = {101, -10.998, 1574.4, -0.022671, -3.4058E-07, 2}, VapVis = {102, 1.7776E-07, 0.70632, 118.6, 61798, 0}, LiqK = {16, 0.086277, -343.48, 0.36261, -0.00791, 0.0000032504}, VapK = {102, 0.000031971, 1.1528, 215.14, 115000, 0}, Racketparam = 0, UniquacR = 6.0434, UniquacQ = 4.24, ChaoSeadAF = 0.3643, ChaoSeadSP = 19383, ChaoSeadLV = 0.155536);
+end Biphenyl;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Bromine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Bromine.mo
new file mode 100644
index 0000000..1503635
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Bromine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Bromine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 3, name = "Bromine", CAS = "7726-95-6", Tc = 584.15, Pc = 1.03E+07, Vc = 0.135, Cc = 0.286, Tb = 331.9, Tm = 265.9, TT = 265.85, TP = 5853.37, MW = 159.808, LVB = 0.0514795, AF = 0.128997, SP = 23590, DM = 0, SH = 0.0, IGHF = 3.091E+07, GEF = 3140000, AS = 245350, HFMP = 1.057E+07, HOC = 0, LiqDen = {105, 2.0603, 0.28982, 584.15, 0.28948, 0}, VP = {101, 63.657, -5321.6, -6.3199, 0.0000054412, 2}, LiqCp = {16, 75351, -4.87E+07, 54033, 102.73, 0.43775}, HOV = {106, 3.8419E+07, -0.26282, 2.1808, -2.7529, 1.1823}, VapCp = {16, 35000, -410, 8.5, -0.00016, -0.00000001}, LiqVis = {101, -5.9813, 410.55, -0.30036, -0.000006936, 2}, VapVis = {102, 1.1438E-07, 0.88111, 59.595, -6723.3, 0}, LiqK = {16, -0.69183, 27.775, -0.38966, 0.00057103, -8.8462E-07}, VapK = {102, 0.0000065648, 1.4785, 4505.6, -870500, 0}, Racketparam = 0.279241, UniquacR = 1.8985, UniquacQ = 1.672, ChaoSeadAF = 0.108, ChaoSeadSP = 23591.8, ChaoSeadLV = 0.0514795);
+end Bromine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Bromobenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Bromobenzene.mo
new file mode 100644
index 0000000..7d9ec50
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Bromobenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Bromobenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 121, name = "Bromobenzene", CAS = "108-86-1", Tc = 670.15, Pc = 4519100, Vc = 0.324, Cc = 0.263, Tb = 429.236, Tm = 242.43, TT = 242.43, TP = 7.8364, MW = 157.008, LVB = 0.105567, AF = 0.250575, SP = 19940, DM = 5.67059E-30, SH = -168070000.0, IGHF = 1.05018E+08, GEF = 1.38532E+08, AS = 324386, HFMP = 1.06274E+07, HOC = -3.01917E+09, LiqDen = {105, 0.8226, 0.26632, 670.15, 0.2821, 0}, VP = {101, 146.6319, -10375.07, -18.74897, 0.0000147083, 2}, LiqCp = {16, 97487, 953.8, 2.1839, 0.023716, -0.000017458}, HOV = {106, 5.656362E+07, 0.347537, 0.135082, 0.0123621, -0.140849}, VapCp = {16, 65656, -767.67, 13.165, -0.00063667, 1.8215E-07}, LiqVis = {101, -54.93, 2754.4, 6.973, -0.000009784, 2}, VapVis = {102, 2.2327E-07, 0.71456, 185.02, -22.393, 0}, LiqK = {16, 0.032562, -180.04, -0.56464, -0.0046562, 1.7973E-07}, VapK = {102, 0.00025787, 0.79923, 269.79, 163730, 0}, Racketparam = 0, UniquacR = 3.9709, UniquacQ = 2.952, ChaoSeadAF = 0.250575, ChaoSeadSP = 19944.7, ChaoSeadLV = 0.105567);
+end Bromobenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Butanal.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Butanal.mo
new file mode 100644
index 0000000..2c2a578
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Butanal.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Butanal
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 319, name = "Butanal", CAS = "123-72-8", Tc = 521.15, Pc = 4000000, Vc = 0.263, Cc = 0.25, Tb = 347.95, Tm = 176.75, TT = 176.75, TP = 0.316993, MW = 72.1057, LVB = 0.0904328, AF = 0.277417, SP = 18660, DM = 9.07E-30, SH = -1209000000.0, IGHF = -2.07E+08, GEF = -1.1539E+08, AS = 344900, HFMP = 1.109E+07, HOC = -2.3035E+09, LiqDen = {105, 1.0715, 0.2723, 521.3, 0.27225, 0}, VP = {101, 99.51827, -7112.269, -11.7407, 9.521179E-06, 2}, LiqCp = {16, 146790, -6569.4, 41.653, -0.01116, -0.000075065}, HOV = {106, 4.118197E+07, -1.36073, 5.949252, -7.213209, 2.926745}, VapCp = {16, 84791, -954.83, 13.167, -0.00050103, 1.5222E-07}, LiqVis = {101, -14.207, 1014.9, 0.55992, -0.0000018129, 2}, VapVis = {102, 9.4037E-07, 0.50713, 464.89, -11049, 0}, LiqK = {16, 0.054171, 0.30189, -1.9042, -0.00054405, -0.0000037387}, VapK = {102, 784.27, 0.98392, 6.406E+09, -1.3461E+11, 0}, Racketparam = 0.25, UniquacR = 3.2479, UniquacQ = 2.876, ChaoSeadAF = 0.277417, ChaoSeadSP = 18660, ChaoSeadLV = 0.0904328);
+end Butanal;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Butylvinylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Butylvinylether.mo
new file mode 100644
index 0000000..592ef17
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Butylvinylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Butylvinylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 333, name = "Butylvinylether", CAS = "111-34-2", Tc = 540.5, Pc = 3200000, Vc = 0.38362, Cc = 0.273, Tb = 367.131, Tm = 181.15, TT = 181.15, TP = 0.134811, MW = 100.163, LVB = 0.130251, AF = 0.358, SP = 16460, DM = 4.16955E-30, SH = -216400000.0, IGHF = -1.83E+08, GEF = -3.61974E+07, AS = 428000, HFMP = 1.38E+07, HOC = -3.59144E+09, LiqDen = {105, 0.51202, 0.22443, 540.5, 0.25269, 0}, VP = {101, 80.48089, -6835.53, -8.641032, 5.192611E-06, 2}, LiqCp = {16, 179060, 294.15, 4.464, 0.023293, -0.000021892}, HOV = {106, 5.9857E+07, 1.4054, -2.9112, 3.3585, -1.4378}, VapCp = {16, 70271, -440.11, 12.531, 0.00054467, -2.1666E-07}, LiqVis = {101, -13.973, 1139.1, 0.44727, -0.0000011861, 2}, VapVis = {102, 9.4315E-08, 0.78571, 41.584, 9100.4, 0}, LiqK = {16, -0.13174, 16.987, -1.2513, -0.000050242, -0.000001447}, VapK = {102, 0.00002407, 1.1842, 65.04, 40153, 0}, Racketparam = 0.273, UniquacR = 4.7403, UniquacQ = 4.192, ChaoSeadAF = 0.358, ChaoSeadSP = 16460, ChaoSeadLV = 0.130251);
+end Butylvinylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbondioxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbondioxide.mo
new file mode 100644
index 0000000..21e9927
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbondioxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Carbondioxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 6, name = "Carbondioxide", CAS = "124-38-9", Tc = 304.21, Pc = 7383000, Vc = 0.094, Cc = 0.274, Tb = 0, Tm = 216.58, TT = 216.58, TP = 518672, MW = 44.0095, LVB = 0.0616782, AF = 0.223621, SP = 14560, DM = 0, SH = -393510000.0, IGHF = -3.9351E+08, GEF = -3.9437E+08, AS = 213677, HFMP = 9019000, HOC = 0, LiqDen = {105, 2.768, 0.26212, 304.21, 0.2908, 0}, VP = {101, 95.478, -4070, -12.07, 0.000029505, 2}, LiqCp = {16, 80592, 108.83, -6.9126, 0.059647, 0.0000069922}, HOV = {106, 2.1092E+07, 0.35366, -0.46134, 0.43554, 0.037671}, VapCp = {16, 28933, -494.28, 10.658, -0.000027375, 3.3268E-09}, LiqVis = {101, -7.7022, -166.34, 0.38094, -0.00004018, 2}, VapVis = {102, 0.0000022464, 0.45495, 292.64, 1669.1, 0}, LiqK = {16, -0.24975, -55.106, 0.41735, -0.0051067, 0.0000020157}, VapK = {102, 5.804, -0.44522, 794.13, 2139600, 0}, Racketparam = 0.270937, UniquacR = 1.2986, UniquacQ = 1.292, ChaoSeadAF = 0.231, ChaoSeadSP = 14563.8, ChaoSeadLV = 0.0372744);
+end Carbondioxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbondisulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbondisulfide.mo
new file mode 100644
index 0000000..020c77b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbondisulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Carbondisulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 7, name = "Carbondisulfide", CAS = "75-15-0", Tc = 552, Pc = 7900000, Vc = 0.16, Cc = 0.275, Tb = 319.375, Tm = 161.58, TT = 161.11, TP = 1.4944, MW = 76.1407, LVB = 0.0606387, AF = 0.110697, SP = 20400, DM = 0, SH = -393510000.0, IGHF = 1.169E+08, GEF = 6.68E+07, AS = 237900, HFMP = 4393000, HOC = -1.0769E+09, LiqDen = {105, 1.7976, 0.28757, 552, 0.32269, 0}, VP = {101, 52.62041, -4546.02, -4.744246, 4.881551E-06, 2}, LiqCp = {16, 69032, 671.75, 2.3423, 0.015972, -0.0000043479}, HOV = {106, 3.9758E+07, 0.68679, 0.18227, -1.7985, 1.3658}, VapCp = {16, 26779, -222.87, 10.557, 0.00011062, -5.3772E-08}, LiqVis = {101, -9.8702, 691.26, -0.072299, 1.6489E-07, 2}, VapVis = {102, 5.9681E-08, 0.92304, 48.01, -162.47, 0}, LiqK = {16, 0.12378, -150.01, -0.453, -0.0078739, -0.0000032002}, VapK = {102, 0.00033762, 0.73827, 483.3, -4769.2, 0}, Racketparam = 0, UniquacR = 2.057, UniquacQ = 1.65, ChaoSeadAF = 0.107865, ChaoSeadSP = 20410.7, ChaoSeadLV = 0.0606387);
+end Carbondisulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbonmonoxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbonmonoxide.mo
new file mode 100644
index 0000000..306c5c8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbonmonoxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Carbonmonoxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 5, name = "Carbonmonoxide", CAS = "630-08-0", Tc = 132.85, Pc = 3494000, Vc = 0.0931, Cc = 0.292, Tb = 81.66, Tm = 68.15, TT = 68.15, TP = 15400, MW = 28.01, LVB = 0.03488, AF = 0.045, SP = 6402, DM = 3.74E-31, SH = -110530000.0, IGHF = -1.1053E+08, GEF = -1.3715E+08, AS = 197556, HFMP = 840984, HOC = -2.83E+08, LiqDen = {105, 2.2423, 0.2437, 132.93, 0.24196, 0}, VP = {101, 42.283, -1035.1, -4.2012, 0.000062546, 2}, LiqCp = {16, 63364, -10524, 359.6, -3.9494, 0.014624}, HOV = {106, 8585000, 0.4921, -0.326, 0.2231, 0}, VapCp = {16, 29100, -1979.753, 10.58274, -0.0000790406, -1.99685E-07}, LiqVis = {101, -82.158, 1037.8, 14.229, -0.00028204, 2}, VapVis = {102, 0.0000012713, 0.51494, 105.97, -231.11, 0}, LiqK = {16, -0.23621, -3.5251, -0.55788, -0.0039362, -0.0000082725}, VapK = {102, 0.00061581, 0.6828, 61.287, 221.32, 0}, Racketparam = 0.2918, UniquacR = 1.0679, UniquacQ = 1.112, ChaoSeadAF = 0.093, ChaoSeadSP = 6402.36, ChaoSeadLV = 0.0354426);
+end Carbonmonoxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbontetrachloride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbontetrachloride.mo
new file mode 100644
index 0000000..262543d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbontetrachloride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Carbontetrachloride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 4, name = "Carbontetrachloride", CAS = "56-23-5", Tc = 556.3, Pc = 4557000, Vc = 0.276, Cc = 0.271, Tb = 349.79, Tm = 250.33, TT = 250.33, TP = 1122.46, MW = 153.822, LVB = 0.09707, AF = 0.187, SP = 17550, DM = 0, SH = 0.0, IGHF = -9.581E+07, GEF = -5.354E+07, AS = 309910, HFMP = 2535000, HOC = -2.653E+08, LiqDen = {105, 1.0721, 0.28328, 556.3, 0.30092, 0}, VP = {101, 82.671, -6304.2, -9.2247, 0.0000074352, 2}, LiqCp = {16, 129390, 1959.2, -18.833, 0.080834, -0.000047491}, HOV = {106, 3.1764E+07, -1.5729, 5.2158, -5.5259, 2.1931}, VapCp = {16, 37588.04, -242.5309, 11.66726, -0.000446049, 1.391101E-07}, LiqVis = {101, -22.297, 1645, 1.7588, -0.0000028163, 2}, VapVis = {102, 0.0000029947, 0.37756, 454.35, 5708.3, 0}, LiqK = {16, 0.034432, -227.95, -0.38117, -0.0048371, -0.0000011782}, VapK = {102, 0.0001208, 0.98541, 1411.1, -36584, 0}, Racketparam = 0, UniquacR = 3.33, UniquacQ = 2.82, ChaoSeadAF = 1.695, ChaoSeadSP = 17546.4, ChaoSeadLV = 0.0971395);
+end Carbontetrachloride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbonylsulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbonylsulfide.mo
new file mode 100644
index 0000000..8c50c86
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Carbonylsulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Carbonylsulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 202, name = "Carbonylsulfide", CAS = "463-58-1", Tc = 375.15, Pc = 6349000, Vc = 0.14, Cc = 0.272, Tb = 223.15, Tm = 134.35, TT = 134.3, TP = 101.325, MW = 60.0751, LVB = 0.0510474, AF = 0.137779, SP = 14270, DM = 2.37E-30, SH = -138410000.0, IGHF = -1.3841E+08, GEF = -1.692E+08, AS = 231470, HFMP = 4725000, HOC = -5.4827E+08, LiqDen = {105, 1.8896, 0.27226, 378.81, 0.25315, 0}, VP = {101, 74.34266, -3813.497, -8.620386, 0.0000180431, 2}, LiqCp = {16, 71808, -8528.4, 73.159, -0.16854, 0.00016953}, HOV = {106, 3.0555E+07, 0.84937, -0.32129, -0.52716, 0.40226}, VapCp = {16, 28351, -363.89, 10.752, -0.00019902, 7.0945E-08}, LiqVis = {101, -9.091, 494.42, -0.20653, -6.4588E-07, 2}, VapVis = {102, 0.000010184, 0.2938, 1012.7, -12250, 0}, LiqK = {16, 0.032218, -41.011, -0.83624, -0.0051268, 0.0000012154}, VapK = {102, 0.0012701, 0.60437, 545.23, 3627.6, 0}, Racketparam = 0.272, UniquacR = 1.707317, UniquacQ = 1.620988, ChaoSeadAF = 0.096, ChaoSeadSP = 14270, ChaoSeadLV = 0.0510474);
+end Carbonylsulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Chlorine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Chlorine.mo
new file mode 100644
index 0000000..f097352
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Chlorine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Chlorine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 11, name = "Chlorine", CAS = "7782-50-5", Tc = 417, Pc = 7700000, Vc = 0.124, Cc = 0.275, Tb = 239.12, Tm = 172.12, TT = 172.12, TP = 1366.04, MW = 70.905, LVB = 0.04536, AF = 0.073, SP = 17360, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 222972, HFMP = 6406000, HOC = 0, LiqDen = {105, 1.8293, 0.25, 417.16, 0.26753, 0}, VP = {101, 45.776, -3292.7, -3.7926, 0.0000049863, 2}, LiqCp = {16, 66547, 12488, -246.3, -2.7266, -0.021518}, HOV = {106, 2.9601E+07, 0.77334, -1.0279, 0.93368, -0.2926}, VapCp = {16, 28958, -398.03, 10.125, -0.0010681, 3.8414E-07}, LiqVis = {101, -11.351, 502.6, 0.30506, -9.5237E-07, 2}, VapVis = {102, 2.5899E-07, 0.74273, 97.463, -22.488, 0}, LiqK = {16, -0.48743, 13.229, -0.49371, 0.00052989, -0.0000020491}, VapK = {102, 0.00096588, 0.54995, 434.26, 3605.9, 0}, Racketparam = 0, UniquacR = 1.5887, UniquacQ = 1.524, ChaoSeadAF = 0.0547, ChaoSeadSP = 20120, ChaoSeadLV = 0.0455063);
+end Chlorine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Chloroform.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Chloroform.mo
new file mode 100644
index 0000000..4f21713
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Chloroform.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Chloroform
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 26, name = "Chloroform", CAS = "67-66-3", Tc = 536.5, Pc = 5500000, Vc = 0.24, Cc = 0.296, Tb = 334.33, Tm = 209.63, TT = 209.63, TP = 68.1479, MW = 119.377, LVB = 0.08068, AF = 0.226, SP = 18920, DM = 3.37E-30, SH = -296840000.0, IGHF = -1.029E+08, GEF = -7.01E+07, AS = 295600, HFMP = 9540000, HOC = -3.8E+08, LiqDen = {105, 0.53556, 0.18404, 536.5, 0.18541, 0}, VP = {101, 99.91512, -6781.559, -11.93873, 0.0000115883, 2}, LiqCp = {16, 93132, 645.44, 2.3739, 0.024457, -0.000021097}, HOV = {106, 5.1382E+07, 0.7027, 0.36748, -1.351, 0.69236}, VapCp = {16, 36659, -308.1, 11.299, 0.00003137, -3.3538E-08}, LiqVis = {101, -20.923, 1248.9, 1.655, -0.0000024787, 2}, VapVis = {102, 1.8024E-07, 0.76204, 109.36, -1373.9, 0}, LiqK = {16, 0.061417, -66.692, -1.6802, -0.001962, -0.0000044192}, VapK = {102, 0.00041167, 0.84476, 1870.6, -7829.5, 0}, Racketparam = 0, UniquacR = 2.7, UniquacQ = 2.34, ChaoSeadAF = 0.2059, ChaoSeadSP = 18919.5, ChaoSeadLV = 0.0805048);
+end Chloroform;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Chrysene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Chrysene.mo
new file mode 100644
index 0000000..d35c72d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Chrysene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Chrysene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 189, name = "Chrysene", CAS = "218-01-9", Tc = 979, Pc = 2390000, Vc = 0.749, Cc = 0.22, Tb = 714.15, Tm = 531.15, TT = 531.15, TP = 1028.09, MW = 228.288, LVB = 0.223221, AF = 0.603008, SP = 18920, DM = 2.33E-30, SH = -168070000.0, IGHF = 2.698E+08, GEF = 4.03E+08, AS = 440000, HFMP = 2.62E+07, HOC = -8.6796E+09, LiqDen = {105, 0.30846, 0.21991, 979, 0.32162, 0}, VP = {101, 171.0845, -19845.5, -20.41887, 4.689312E-06, 2}, LiqCp = {16, 314190, 239.97, 9.0147, 0.0068894, -0.0000035685}, HOV = {106, 1.2779E+08, 0.96651, -1.3609, 1.2985, -0.49651}, VapCp = {16, 124010, -668.94, 14.001, -0.0004632, 1.3177E-07}, LiqVis = {101, -12.612, 2823.3, -0.058693, 2.8981E-08, 2}, VapVis = {102, 3.4146E-07, 0.54263, 230.08, -3.8758, 0}, LiqK = {16, 0.032525, -322.45, -0.056163, -0.0034819, 4.4935E-07}, VapK = {102, 0.0001111, 0.947, 689.64, 45041, 0}, Racketparam = 0.237646, UniquacR = 8.250494, UniquacQ = 5.304, ChaoSeadAF = 0.603954, ChaoSeadSP = 19486.9, ChaoSeadLV = 0.210334);
+end Chrysene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneFourdimethylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneFourdimethylcyclohexane.mo
new file mode 100644
index 0000000..c0e931f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneFourdimethylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model CisOneFourdimethylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 279, name = "CisOneFourdimethylcyclohexane", CAS = "624-29-3", Tc = 598.15, Pc = 2938430, Vc = 0.46, Cc = 0.272, Tb = 397.48, Tm = 185.744, TT = 185.72, TP = 0.0704204, MW = 112.213, LVB = 0.144106, AF = 0.2348, SP = 15980, DM = 0, SH = -1209000000.0, IGHF = -1.76648E+08, GEF = 3.79489E+07, AS = 370451, HFMP = 9307730, HOC = -4.86704E+09, LiqDen = {105, 0.53336, 0.24533, 598.15, 0.2771, 0}, VP = {101, 79.163, -7004.6, -8.4779, 0.0000046053, 2}, LiqCp = {16, 110770, 140.07, 8.7617, 0.0091373, -0.0000048302}, HOV = {106, 7.1514E+07, 2.3724, -5.2021, 5.4751, -2.1521}, VapCp = {16, 101700, -844.25, 13.931, -0.00056374, 1.5762E-07}, LiqVis = {101, -20.704, 1391.4, 1.6378, -0.0000047953, 2}, VapVis = {102, 0.0000024207, 0.36412, 666.44, 4231, 0}, LiqK = {16, -0.063527, 3.3026, -1.4941, -0.0004362, -0.0000011663}, VapK = {102, 0.016747, 0.34072, -1.7965, 898230, 0}, Racketparam = 0.272, UniquacR = 5.3936, UniquacQ = 4.312, ChaoSeadAF = 0.2348, ChaoSeadSP = 15980, ChaoSeadLV = 0.144106);
+end CisOneFourdimethylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneThreedimethylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneThreedimethylcyclohexane.mo
new file mode 100644
index 0000000..4b17200
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneThreedimethylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model CisOneThreedimethylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 277, name = "CisOneThreedimethylcyclohexane", CAS = "638-04-0", Tc = 591.15, Pc = 2938430, Vc = 0.45, Cc = 0.269, Tb = 393.24, Tm = 197.61, TT = 197.58, TP = 0.562747, MW = 112.213, LVB = 0.147281, AF = 0.2414, SP = 15640, DM = 0, SH = -1209000000.0, IGHF = -1.84765E+08, GEF = 2.98319E+07, AS = 370451, HFMP = 1.08211E+07, HOC = -4.85972E+09, LiqDen = {105, 0.56146, 0.25431, 591.15, 0.28196, 0}, VP = {101, 80.304, -6952.9, -8.6838, 0.000005071, 2}, LiqCp = {16, 91638, 67.51, 9.6813, 0.0069535, -0.0000034278}, HOV = {106, 6.8345E+07, 2.0984, -4.3187, 4.4054, -1.7047}, VapCp = {16, 100690, -836.69, 13.908, -0.00051206, 1.3582E-07}, LiqVis = {101, -19.068, 1358.3, 1.3526, -0.0000038202, 2}, VapVis = {102, 0.0000012434, 0.44274, 472.75, 75.213, 0}, LiqK = {16, -0.04198, -3.8682, -1.5284, -0.00074068, -0.0000011056}, VapK = {102, 0.015195, 0.35206, -46.167, 870770, 0}, Racketparam = 0.269, UniquacR = 5.3936, UniquacQ = 4.312, ChaoSeadAF = 0.2414, ChaoSeadSP = 15640, ChaoSeadLV = 0.147281);
+end CisOneThreedimethylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneThreedimethylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneThreedimethylcyclopentane.mo
new file mode 100644
index 0000000..0fae579
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneThreedimethylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model CisOneThreedimethylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 269, name = "CisOneThreedimethylcyclopentane", CAS = "2532-58-3", Tc = 551, Pc = 3400000, Vc = 0.3633, Cc = 0.277, Tb = 364.71, Tm = 139.45, TT = 139.45, TP = 0.000172698, MW = 98.188, LVB = 0.13191, AF = 0.276, SP = 15490, DM = 0, SH = -1209000000.0, IGHF = -1.3585E+08, GEF = 3.9204E+07, AS = 366810, HFMP = 7397000, HOC = -4.2771E+09, LiqDen = {105, 0.77224, 0.27858, 551, 0.31293, 0}, VP = {101, 59.262, -5561.3, -5.5932, 0.0000039124, 2}, LiqCp = {16, 65786, -81.345, 11.138, 0.0032931, -0.0000013405}, HOV = {106, 5.964754E+07, 1.992198, -3.906039, 3.442342, -1.064932}, VapCp = {16, 86318, -831.43, 13.758, -0.00059782, 1.8276E-07}, LiqVis = {101, -11.311, 1000.6, 0.063555, -2.0388E-07, 2}, VapVis = {102, 4.8359E-07, 0.57388, 271.6, -5017.7, 0}, LiqK = {16, -0.041732, 3.5995, -1.581, -0.00048911, -0.0000016476}, VapK = {102, 0.0021721, 0.62882, 203.61, 446440, 0}, Racketparam = 0.277, UniquacR = 4.7192, UniquacQ = 3.772, ChaoSeadAF = 0.276, ChaoSeadSP = 15490, ChaoSeadLV = 0.13191);
+end CisOneThreedimethylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneTwodimethylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneTwodimethylcyclohexane.mo
new file mode 100644
index 0000000..bea2d5b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneTwodimethylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model CisOneTwodimethylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 275, name = "CisOneTwodimethylcyclohexane", CAS = "2207-01-4", Tc = 606.15, Pc = 2938430, Vc = 0.46, Cc = 0.268, Tb = 402.94, Tm = 223.16, TT = 223.16, TP = 6.41394, MW = 112.213, LVB = 0.141645, AF = 0.2363, SP = 16250, DM = 0, SH = -1209000000.0, IGHF = -1.72172E+08, GEF = 4.12124E+07, AS = 374510, HFMP = 1645150, HOC = -4.87084E+09, LiqDen = {105, 0.52003, 0.24148, 606.15, 0.2655, 0}, VP = {101, 79.675, -7110.6, -8.5422, 0.0000045741, 2}, LiqCp = {16, 111710, 52.625, 9.3729, 0.0077553, -0.0000040932}, HOV = {106, 6.6247E+07, 1.824, -3.744, 3.9502, -1.5633}, VapCp = {16, 99210, -835.35, 13.925, -0.00054754, 1.5043E-07}, LiqVis = {101, -12.312, 1465.3, 0.097955, -4.4792E-07, 2}, VapVis = {102, 8.4568E-07, 0.48702, 397.94, 11.816, 0}, LiqK = {16, -0.013234, -31.366, -1.3892, -0.0016087, -0.0000006162}, VapK = {102, 0.015824, 0.34516, -25.388, 892770, 0}, Racketparam = 0.268, UniquacR = 5.3936, UniquacQ = 4.312, ChaoSeadAF = 0.2363, ChaoSeadSP = 16250, ChaoSeadLV = 0.141645);
+end CisOneTwodimethylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneTwodimethylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneTwodimethylcyclopentane.mo
new file mode 100644
index 0000000..60002c2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisOneTwodimethylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model CisOneTwodimethylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 267, name = "CisOneTwodimethylcyclopentane", CAS = "1192-18-3", Tc = 565.15, Pc = 3445050, Vc = 0.37, Cc = 0.271, Tb = 372.68, Tm = 219.26, TT = 219.26, TP = 24.1041, MW = 98.1861, LVB = 0.127822, AF = 0.2692, SP = 16160, DM = 0, SH = -1209000000.0, IGHF = -1.29453E+08, GEF = 4.58148E+07, AS = 366142, HFMP = 1657280, HOC = -4.28203E+09, LiqDen = {105, 0.72465, 0.26829, 565.15, 0.28378, 0}, VP = {101, 88.755, -6920, -10.09, 0.0000077797, 2}, LiqCp = {16, 91966, 30.661, 9.7483, 0.0064492, -0.0000032985}, HOV = {106, 5.8904E+07, 1.2615, -1.6517, 1.1747, -0.3566}, VapCp = {16, 85421, -827.36, 13.75, -0.00058187, 1.7604E-07}, LiqVis = {101, -30.744, 1578.9, 3.2397, -0.0000069313, 2}, VapVis = {102, 5.0794E-07, 0.561, 243.58, 7280.5, 0}, LiqK = {16, -0.014002, -51.607, -1.1286, -0.0024368, 4.2617E-08}, VapK = {102, 0.011269, 0.40836, 151.71, 760020, 0}, Racketparam = 0.271, UniquacR = 4.7192, UniquacQ = 3.772, ChaoSeadAF = 0.2692, ChaoSeadSP = 16160, ChaoSeadLV = 0.127822);
+end CisOneTwodimethylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisTwobutene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisTwobutene.mo
new file mode 100644
index 0000000..9bd8d97
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisTwobutene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model CisTwobutene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 79, name = "CisTwobutene", CAS = "590-18-1", Tc = 435.5, Pc = 4210000, Vc = 0.2338, Cc = 0.269, Tb = 276.87, Tm = 134.26, TT = 134.26, TP = 0.272, MW = 56.108, LVB = 0.09101, AF = 0.203, SP = 14720, DM = 1.0E-30, SH = -7400000.0, IGHF = -7400000, GEF = 6.536E+07, AS = 301200, HFMP = 7309400, HOC = -2.5339E+09, LiqDen = {105, 1.1591, 0.27085, 435.5, 0.28116, 0}, VP = {101, 82.92441, -5022.628, -9.652369, 0.0000133961, 2}, LiqCp = {16, 79532, 110.96, 9.7654, -0.0036798, 0.000019578}, HOV = {106, 3.4358E+07, 0.38004, 0, 0, 0}, VapCp = {16, 53149, -719.47, 12.619, -0.000047815, 4.5198E-10}, LiqVis = {101, -17.96838, 892.0637, 1.159883, -2.883463E-06, 2}, VapVis = {102, 4.0697E-08, 0.91942, -12.143, 1343.2, 0}, LiqK = {16, -0.032373, 19.125, -1.716, 0.00030408, -0.0000042934}, VapK = {102, 0.000075196, 1.0578, -53.701, 131760, 0}, Racketparam = 0.2705, UniquacR = 2.9189, UniquacQ = 2.563, ChaoSeadAF = 0.2575, ChaoSeadSP = 13827.58, ChaoSeadLV = 0.0912);
+end CisTwobutene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisTwohexene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisTwohexene.mo
new file mode 100644
index 0000000..9a146b2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisTwohexene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model CisTwohexene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 257, name = "CisTwohexene", CAS = "7688-21-3", Tc = 511.4, Pc = 3160000, Vc = 0.345, Cc = 0.256, Tb = 342.03, Tm = 132, TT = 132.03, TP = 0.000232, MW = 84.1595, LVB = 0.1234, AF = 0.287374, SP = 15360, DM = 1.015E-30, SH = -1209000000.0, IGHF = -4.856E+07, GEF = 8.025E+07, AS = 386500, HFMP = 8857530, HOC = -3.728E+09, LiqDen = {105, 0.77464, 0.2672, 511.4, 0.28571, 0}, VP = {101, 104.3995, -6791.221, -12.84602, 0.0000165576, 2}, LiqCp = {16, 135610, 570.7, 1.6392, 0.033591, -0.000032605}, HOV = {106, 4.9E+07, 1.281, -2.4971, 2.499, -0.86824}, VapCp = {16, 88576, -789.82, 13.286, -0.00034537, 1.0091E-07}, LiqVis = {101, -10.864, 787.8, 0.0025561, -7.6676E-08, 2}, VapVis = {102, 3.6061E-08, 0.91362, -8.4415, 1515.2, 0}, LiqK = {16, -0.038625, 3.4165, -1.4421, -0.00078927, -0.0000017176}, VapK = {102, 0.000053674, 1.0887, -86.934, 155330, 0}, Racketparam = 0.256, UniquacR = 4.2677, UniquacQ = 3.643, ChaoSeadAF = 0.287374, ChaoSeadSP = 15360, ChaoSeadLV = 0.1234);
+end CisTwohexene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisTwopentene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisTwopentene.mo
new file mode 100644
index 0000000..8a535f1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/CisTwopentene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model CisTwopentene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 109, name = "CisTwopentene", CAS = "627-20-3", Tc = 475, Pc = 3690000, Vc = 0.3021, Cc = 0.273, Tb = 310.07, Tm = 121.75, TT = 121.75, TP = 0.000554, MW = 70.134, LVB = 0.10785, AF = 0.253, SP = 15060, DM = 1.008E-30, SH = -27600000.0, IGHF = -2.63E+07, GEF = 7.37E+07, AS = 346300, HFMP = 7112000, HOC = -3.123E+09, LiqDen = {105, 0.90921, 0.26313, 475, 0.30422, 0}, VP = {101, 87.54937, -5782.462, -10.18969, 0.00001126, 2}, LiqCp = {16, 132080, -10569, 112.64, -0.34846, 0.00041161}, HOV = {106, 3.808893E+07, 0.541071, -0.876512, 1.300916, -0.612383}, VapCp = {16, 68358, -741.07, 12.923, -0.00013529, 3.1324E-08}, LiqVis = {101, -10.01, 644.41, -0.11124, 1.3682E-07, 2}, VapVis = {102, 7.0321E-08, 0.83123, 33.115, -394.35, 0}, LiqK = {16, -0.06994, -6.3331, -1.1883, -0.0013351, -7.8623E-07}, VapK = {102, 0.00017973, 0.95148, 124.65, 170420, 0}, Racketparam = 0, UniquacR = 3.5933, UniquacQ = 3.103, ChaoSeadAF = 0.206, ChaoSeadSP = 14420.78, ChaoSeadLV = 0.1078);
+end CisTwopentene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cisdecahydronaphthalene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cisdecahydronaphthalene.mo
new file mode 100644
index 0000000..b5e9e47
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cisdecahydronaphthalene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Cisdecahydronaphthalene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 190, name = "Cisdecahydronaphthalene", CAS = "493-01-6", Tc = 702.25, Pc = 3242400, Vc = 0.48, Cc = 0.267, Tb = 468.965, Tm = 230.17, TT = 230.2, TP = 0.157166, MW = 138.253, LVB = 0.154615, AF = 0.294204, SP = 17625.3, DM = 0, SH = -168070000.0, IGHF = -1.6924E+08, GEF = 8.552E+07, AS = 377730, HFMP = 9489000, HOC = -5.89213E+09, LiqDen = {105, 0.5563, 0.26613, 702.25, 0.2872, 0}, VP = {101, 133.51, -10671, -16.446, 0.0000090618, 2}, LiqCp = {16, 22875, 183.22, 9.7191, 0.0080113, -0.0000053261}, HOV = {106, 7.893812E+07, 1.120046, -0.590284, -0.648808, 0.601197}, VapCp = {16, 90923, -788.66, 14.021, -0.00046171, 0.0000001235}, LiqVis = {101, -102.87, 5387.9, 14.086, -0.000014127, 2}, VapVis = {102, 7.2745E-07, 0.51364, 404.18, 49.274, 0}, LiqK = {16, 0.087597, -101, -1.0253, -0.0090174, 0.0000045064}, VapK = {102, 0.0000017593, 1.7742, 317.62, 37605, 0}, Racketparam = 0.264744, UniquacR = 6.289, UniquacQ = 4.776, ChaoSeadAF = 0.294204, ChaoSeadSP = 17625.3, ChaoSeadLV = 0.154615);
+end Cisdecahydronaphthalene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cumene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cumene.mo
new file mode 100644
index 0000000..a8b9af8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cumene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Cumene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 163, name = "Cumene", CAS = "98-82-8", Tc = 631, Pc = 3209000, Vc = 0.4347, Cc = 0.261, Tb = 425.52, Tm = 177.14, TT = 177.14, TP = 0.000471313, MW = 120.194, LVB = 0.14017, AF = 0.326, SP = 17420, DM = 1.3E-30, SH = -168070000.0, IGHF = 4000000, GEF = 1.379E+08, AS = 386000, HFMP = 7326000, HOC = -4.951E+09, LiqDen = {105, 0.50221, 0.23722, 631.11, 0.26133, 0}, VP = {101, 118.1491, -9251.635, -14.30054, 9.196883E-06, 2}, LiqCp = {16, 41467, -297.98, 13.905, -0.0047724, 0.0000064694}, HOV = {106, 5.766E+07, 0.38939, 0, 0, 0}, VapCp = {16, 86134, -649.19, 13.375, -0.00027067, 7.9617E-08}, LiqVis = {101, -16.711, 1557.8, 0.70915, 0.000002636, 2}, VapVis = {102, 3.9385E-07, 0.59572, 281.33, -806.82, 0}, LiqK = {16, 0.085857, 481.58, -8.587, 0.025021, -0.000042138}, VapK = {102, 1.6743E-07, 1.8369, -449.46, 112760, 0}, Racketparam = 0.2617, UniquacR = 5.2708, UniquacQ = 4.044, ChaoSeadAF = 0.3353, ChaoSeadSP = 17436.2, ChaoSeadLV = 0.139854);
+end Cumene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cumenehydroperoxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cumenehydroperoxide.mo
new file mode 100644
index 0000000..6eb1e89
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cumenehydroperoxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Cumenehydroperoxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 410, name = "Cumenehydroperoxide", CAS = "80-15-9", Tc = 605, Pc = 3340000, Vc = 0.463, Cc = 0.278, Tb = 442.7, Tm = 264.26, TT = 264.26, TP = 0.00236574, MW = 152.19, LVB = 0.145892, AF = 0.995, SP = 21500, DM = 5.95412E-30, SH = -61100000.0, IGHF = -7.84E+07, GEF = 9.6E+07, AS = 455000, HFMP = 0, HOC = -4.8444E+09, LiqDen = {105, 0.6643, 0.27801, 605, 0.28637, 0}, VP = {101, 156.523, -16668.56, -17.98221, 0.0000113017, 2}, LiqCp = {16, 83403, -35.074, 9.3262, 0.010979, -0.00001071}, HOV = {106, 7.2836E+07, 0.18056, -0.22381, -0.21673, 0.35898}, VapCp = {16, 70090, -408.89, 12.927, 0.00036839, -1.5886E-07}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {102, 1.9678E-07, 0.71936, 203.36, -7639, 0}, LiqK = {16, -0.022189, -77.144, -1.2225, -0.0023354, 4.0588E-08}, VapK = {102, 0.00018194, 0.94296, 592.69, 22533, 0}, Racketparam = 0.278, UniquacR = 5.817402, UniquacQ = 4.648, ChaoSeadAF = 0.995, ChaoSeadSP = 21500, ChaoSeadLV = 0.145892);
+end Cumenehydroperoxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclobutane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclobutane.mo
new file mode 100644
index 0000000..3608bfc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclobutane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Cyclobutane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 427, name = "Cyclobutane", CAS = "287-23-0", Tc = 459.93, Pc = 4980000, Vc = 0.21, Cc = 0.273, Tb = 285.66, Tm = 182.48, TT = 182.48, TP = 180.101, MW = 56.1063, LVB = 0.0814243, AF = 0.18474, SP = 16020, DM = 0, SH = 28500000.0, IGHF = 2.85E+07, GEF = 1.122E+08, AS = 265400, HFMP = 1088000, HOC = -2.5678E+09, LiqDen = {105, 1.407691, 0.295395, 459.93, 0.248729, 0}, VP = {101, 60.70694, -4389.85, -6.086364, 7.387074E-06, 2}, LiqCp = {16, -3355.973, 25.71519, 11.14976, -0.0000199586, 4.55626E-06}, HOV = {106, 3.344974E+07, 0.35995, -0.0547115, 0.0583309, -0.0233634}, VapCp = {16, 37380.05, -673.6637, 12.72112, -0.000063263, 1.539025E-09}, LiqVis = {16, 0.0000263799, 486.4199, -9.034853, -0.00420404, 4.708051E-07}, VapVis = {16, 2.344771E-06, -353.1514, -11.15186, 0.000996526, -0.0000002755}, LiqK = {16, 0.0169674, 14.7154, -1.831383, -0.000155026, -0.0000048849}, VapK = {16, 0.00541541, -765.5803, -2.581507, 0.00174448, -3.307726E-07}, Racketparam = 0, UniquacR = 0, UniquacQ = 0, ChaoSeadAF = 0, ChaoSeadSP = 0, ChaoSeadLV = 0);
+end Cyclobutane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexane.mo
new file mode 100644
index 0000000..518f5b7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Cyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 129, name = "Cyclohexane", CAS = "110-82-7", Tc = 553.5, Pc = 4073000, Vc = 0.308, Cc = 0.273, Tb = 353.93, Tm = 279.69, TT = 279.69, TP = 5362.51, MW = 84.161, LVB = 0.10875, AF = 0.211, SP = 16740, DM = 0, SH = -168070000.0, IGHF = -1.233E+08, GEF = 3.191E+07, AS = 297276, HFMP = 2740000, HOC = -3.656E+09, LiqDen = {105, 0.93459, 0.28022, 553.5, 0.29409, 0}, VP = {101, 79.82965, -6246.688, -8.778766, 6.933726E-06, 2}, LiqCp = {16, 116110, 127.67, 6.7654, 0.01311, -0.0000060013}, HOV = {106, 4.4856E+07, 0.35691, 0.26181, -0.47647, 0.25741}, VapCp = {16, 42569, -588.9, 12.962, 0.00028376, -1.4009E-07}, LiqVis = {101, -132.2852, 5905.41, 18.88092, -0.000023942, 2}, VapVis = {102, 6.7726E-08, 0.83665, 36.786, -20.301, 0}, LiqK = {16, 0.073881, -301.5, 0.30119, -0.0068406, -0.0000028646}, VapK = {102, 8.5865E-07, 1.771, 243.16, -9.1779, 0}, Racketparam = 0.2729, UniquacR = 4.0464, UniquacQ = 3.24, ChaoSeadAF = 0.2032, ChaoSeadSP = 16773.1, ChaoSeadLV = 0.1087);
+end Cyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexanol.mo
new file mode 100644
index 0000000..bad1870
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Cyclohexanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 132, name = "Cyclohexanol", CAS = "108-93-0", Tc = 650.1, Pc = 4260000, Vc = 0.322, Cc = 0.254, Tb = 434, Tm = 296.6, TT = 296.6, TP = 76.4997, MW = 100.159, LVB = 0.105751, AF = 0.369047, SP = 23730, DM = 6.2E-30, SH = -168070000.0, IGHF = -2.862E+08, GEF = -1.095E+08, AS = 327700, HFMP = 1783000, HOC = -3.4639E+09, LiqDen = {105, 0.90826, 0.27716, 650.1, 0.30685, 0}, VP = {101, -31.63718, -3989.985, 9.013268, -0.0000126698, 2}, LiqCp = {16, -69485, 774.7, 4.4167, 0.025384, -0.000022994}, HOV = {106, 7.128838E+07, 0.392061, -2.168338, 5.552036, -3.376933}, VapCp = {16, 82477, -807.95, 13.526, -0.00028702, 2.5016E-08}, LiqVis = {101, -437.51, 22529, 63.787, -0.000049001, 2}, VapVis = {102, 8.1528E-08, 0.83387, 90.96, 4936.6, 0}, LiqK = {16, 0.075187, -249.81, -0.16784, -0.0068233, 0.0000026882}, VapK = {102, 0.0030349, 0.6097, 669.35, 478820, 0}, Racketparam = 0.24, UniquacR = 4.27, UniquacQ = 3.51, ChaoSeadAF = 0.514148, ChaoSeadSP = 23672.2, ChaoSeadLV = 0.104294);
+end Cyclohexanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexanone.mo
new file mode 100644
index 0000000..1c791b1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Cyclohexanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 128, name = "Cyclohexanone", CAS = "108-94-1", Tc = 653, Pc = 4000000, Vc = 0.311, Cc = 0.229, Tb = 428.58, Tm = 242, TT = 242, TP = 6.80118, MW = 98.143, LVB = 0.104111, AF = 0.299006, SP = 20250, DM = 1.03E-29, SH = -168070000.0, IGHF = -2.261E+08, GEF = -9.028E+07, AS = 334260, HFMP = 1190000, HOC = -3.299E+09, LiqDen = {105, 0.8601, 0.26829, 653, 0.29808, 0}, VP = {101, 69.93885, -7280.529, -6.943105, 3.624646E-06, 2}, LiqCp = {16, 17987, -72.539, 10.794, 0.0063056, -0.0000049607}, HOV = {106, 6.763E+07, 1.0666, -1.0647, 0.39633, 0.019258}, VapCp = {16, 63931, -772.15, 13.468, -0.00038098, 7.7306E-08}, LiqVis = {101, -37.877, 3012.8, 3.7501, 0.0000021994, 2}, VapVis = {102, 5.3484E-08, 0.89115, 65.345, -657.26, 0}, LiqK = {16, 0.11507, -853.65, 4.7946, -0.021722, 0.0000091954}, VapK = {102, -1104.9, -0.018396, 479160, -8.1392E+09, 0}, Racketparam = 0.23, UniquacR = 4.07, UniquacQ = 3.11, ChaoSeadAF = 0.445, ChaoSeadSP = 20139.4, ChaoSeadLV = 0.104167);
+end Cyclohexanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexene.mo
new file mode 100644
index 0000000..10208f1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclohexene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Cyclohexene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 265, name = "Cyclohexene", CAS = "110-83-8", Tc = 560.42, Pc = 4350000, Vc = 0.291, Cc = 0.272, Tb = 356.12, Tm = 169.67, TT = 169.67, TP = 0.103772, MW = 82.1436, LVB = 0.101877, AF = 0.212302, SP = 17420, DM = 1.83E-30, SH = -1209000000.0, IGHF = -4520000, GEF = 1.077E+08, AS = 310750, HFMP = 3290000, HOC = -3.532E+09, LiqDen = {105, 0.807, 0.25253, 560.42, 0.26738, 0}, VP = {101, 82.052, -6388.7, -9.1035, 0.0000071317, 2}, LiqCp = {16, 97738, 2.3363, 7.7626, 0.013772, -0.000011653}, HOV = {106, 5.794402E+07, 1.587579, -2.225474, 1.109627, 0.041589}, VapCp = {16, 48919, -644.33, 13.16, -0.0002758, 9.0717E-08}, LiqVis = {101, -11.901, 1159.3, 0.11228, -1.9651E-07, 2}, VapVis = {102, 0.0000013322, 0.45371, 444.45, 117.38, 0}, LiqK = {16, 0.11174, 816.81, -14.373, 0.055987, -0.00010104}, VapK = {102, 0.000094336, 1.0783, 568.3, 34471, 0}, Racketparam = 0.272, UniquacR = 3.8143, UniquacQ = 3.027, ChaoSeadAF = 0.212302, ChaoSeadSP = 17420, ChaoSeadLV = 0.101877);
+end Cyclohexene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclopentane.mo
new file mode 100644
index 0000000..12394f3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Cyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Cyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 104, name = "Cyclopentane", CAS = "287-92-3", Tc = 511.6, Pc = 4508000, Vc = 0.26, Cc = 0.276, Tb = 322.38, Tm = 179.311, TT = 179.28, TP = 9.07217, MW = 70.134, LVB = 0.09473, AF = 0.194, SP = 16550, DM = 0, SH = -134990000.0, IGHF = -7.703E+07, GEF = 3.885E+07, AS = 292900, HFMP = 608800, HOC = -3.0709E+09, LiqDen = {105, 0.92461, 0.26305, 511.77, 0.22002, 0}, VP = {101, -74.77148, -401.0576, 15.6271, -0.0000260872, 2}, LiqCp = {16, 84725, 368.5, 3.0559, 0.030633, -0.000031124}, HOV = {106, 4.513618E+07, 1.248318, -2.311302, 2.401073, -0.943348}, VapCp = {16, 39785, -704.2, 13.082, -0.00014913, 2.4491E-08}, LiqVis = {101, -5.1843, 670.87, -0.84082, -7.0656E-07, 2}, VapVis = {102, 2.1433E-07, 0.68815, 135.42, -1597.6, 0}, LiqK = {16, 0.10961, -598.59, 3.5098, -0.016258, -0.0000091635}, VapK = {102, 0.0000098408, 1.4611, 639.53, 7396.1, 0}, Racketparam = 0.2687, UniquacR = 3.3, UniquacQ = 2.47, ChaoSeadAF = 0.2051, ChaoSeadSP = 16589.01, ChaoSeadLV = 0.0947);
+end Cyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/DiButylCarbonate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/DiButylCarbonate.mo
new file mode 100644
index 0000000..ae5d2ab
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/DiButylCarbonate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model DiButylCarbonate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 431, name = "DiButylCarbonate", CAS = "542-52-9", Tc = 577.9457, Pc = 2554740, Vc = 0.48029, Cc = 0.255346, Tb = 480.6, Tm = 0, TT = 0, TP = 0, MW = 174.2374, LVB = 0.16285, AF = 0.380499, SP = 14896.02, DM = 0, SH = 28500000.0, IGHF = -3.824176E+07, GEF = 1.508667E+07, AS = 1355409, HFMP = 0, HOC = -5.683778E+09, LiqDen = {0, 0, 0, 0, 0, 0}, VP = {10, 22.02883, 4492.482, -50.81, 0, 0}, LiqCp = {0, 0, 0, 0, 0, 0}, HOV = {0, 0, 0, 0, 0, 0}, VapCp = {0, 0, 0, 0, 0, 0}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {0, 0, 0, 0, 0, 0}, LiqK = {100, 0, 0, 0, 0, 0}, VapK = {0, 0, 0, 0, 0, 0}, Racketparam = 0, UniquacR = 0, UniquacQ = 0, ChaoSeadAF = 0, ChaoSeadSP = 0, ChaoSeadLV = 0);
+end DiButylCarbonate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/DiEthylCarbonate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/DiEthylCarbonate.mo
new file mode 100644
index 0000000..571b504
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/DiEthylCarbonate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model DiEthylCarbonate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 413, name = "DiEthylCarbonate", CAS = "105-58-8", Tc = 577, Pc = 3420000, Vc = 0.35725, Cc = 0.254676, Tb = 399.95, Tm = 230.15, TT = 0, TP = 0, MW = 118.1322, LVB = 0.12721, AF = 0.3544, SP = 18727.86, DM = 0, SH = -61100000.0, IGHF = 4.443408E+07, GEF = -1.919535, AS = 1202641, HFMP = 0, HOC = -3.223334, LiqDen = {0, 0, 0, 0, 0, 0}, VP = {10, 20.45386, 2817.834, -84.304, 0, 0}, LiqCp = {0, 0, 0, 0, 0, 0}, HOV = {106, 2.9807E+07, 0.38, 0, 0, 0}, VapCp = {4, -748.0008, 383.84, -0.1938, 0.0000364, 0}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {0, 0, 0, 0, 0, 0}, LiqK = {16, 0, 0, 0, 0, 0}, VapK = {0, 0, 0, 0, 0, 0}, Racketparam = 0.254676, UniquacR = 4.731, UniquacQ = 4.166, ChaoSeadAF = 0.3544, ChaoSeadSP = 0, ChaoSeadLV = 0.12721);
+end DiEthylCarbonate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/DiPhenylCarbonate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/DiPhenylCarbonate.mo
new file mode 100644
index 0000000..407a754
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/DiPhenylCarbonate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model DiPhenylCarbonate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 417, name = "DiPhenylCarbonate", CAS = "102-09-0", Tc = 799.32, Pc = 2796500, Vc = 0.59685, Cc = 0.251145, Tb = 572.99, Tm = 352.15, TT = 0, TP = 0, MW = 214.2202, LVB = 0.18261, AF = 0.55805, SP = 18788.28, DM = 0, SH = -61100000.0, IGHF = 1.832592E+08, GEF = 2.719642E+08, AS = 737371.8, HFMP = 0, HOC = -6.512399E+09, LiqDen = {0, 0, 0, 0, 0, 0}, VP = {10, 23.41177, 6810.358, 0, 0, 0}, LiqCp = {3, -164882.8, 994.6407, -0.464037, 0, 0}, HOV = {106, 7.141145E+07, 0.38, 0, 0, 0}, VapCp = {4, -72586.55, 927.9609, -0.573626, 0.000147143, 0}, LiqVis = {101, -49.44655, 15931.93, 0, 0, 0}, VapVis = {0, 0, 0, 0, 0, 0}, LiqK = {3, 0.101839, 0.000518198, -1.230409E-06, 0, 0}, VapK = {3, -0.0506874, 0.00020251, -1.156856E-07, 0, 0}, Racketparam = 0.251145, UniquacR = 7.6234, UniquacQ = 5.63, ChaoSeadAF = 0.55805, ChaoSeadSP = 0, ChaoSeadLV = 0.18261);
+end DiPhenylCarbonate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dichloroacetaldehyde.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dichloroacetaldehyde.mo
new file mode 100644
index 0000000..13877e8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dichloroacetaldehyde.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dichloroacetaldehyde
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 38, name = "Dichloroacetaldehyde", CAS = "79-02-7", Tc = 555, Pc = 4950000, Vc = 0.239, Cc = 0.256, Tb = 362, Tm = 223, TT = 223, TP = 30.4712, MW = 112.943, LVB = 0.0800261, AF = 0.343679, SP = 21090, DM = 7.87E-30, SH = 228200000.0, IGHF = -1.8E+08, GEF = -1.387E+08, AS = 329000, HFMP = 1.4E+07, HOC = -8.11E+08, LiqDen = {105, 1.0695, 0.25535, 555, 0.28663, 0}, VP = {101, 90.61988, -7239.82, -10.19237, 7.278159E-06, 2}, LiqCp = {16, 79819, -93.388, 10.443, 0.0030492, -0.0000015371}, HOV = {106, 5.4311E+07, 0.74287, -0.97767, 1.092, -0.46681}, VapCp = {16, 68025, -873.5, 12.537, -0.00086712, 2.2298E-07}, LiqVis = {101, -19.012, 2548.4, 0.73092, -0.0000016452, 2}, VapVis = {102, 3.0229E-07, 0.67781, 216.84, -7478.9, 0}, LiqK = {16, -0.006509, -45.732, -1.1121, -0.0023494, -2.6574E-07}, VapK = {102, 0.00042346, 0.72759, 609.27, 10645, 0}, Racketparam = 0.260402, UniquacR = 3.058668, UniquacQ = 2.632, ChaoSeadAF = 0.343679, ChaoSeadSP = 21250.9, ChaoSeadLV = 0.0788193);
+end Dichloroacetaldehyde;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dichloroacetylchloride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dichloroacetylchloride.mo
new file mode 100644
index 0000000..915e539
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dichloroacetylchloride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dichloroacetylchloride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 35, name = "Dichloroacetylchloride", CAS = "79-36-7", Tc = 585, Pc = 4610000, Vc = 0.283, Cc = 0.268, Tb = 380.45, Tm = 230, TT = 230, TP = 27.15, MW = 147.388, LVB = 0.0969971, AF = 0.308927, SP = 19510, DM = 5.27E-30, SH = -22970000.0, IGHF = -2.4033E+08, GEF = -1.915E+08, AS = 350000, HFMP = 0, HOC = -6.2647E+08, LiqDen = {105, 0.94766, 0.26857, 585, 0.28586, 0}, VP = {101, 74.72886, -6808.875, -7.735182, 4.475716E-06, 2}, LiqCp = {16, 140380, -122.15, 7.1438, 0.0089927, -3.0698E-07}, HOV = {106, 1.182114E+08, 5.662305, -14.25375, 15.19267, -6.032208}, VapCp = {16, 54272, -346.01, 11.744, -0.00014147, 6.1056E-08}, LiqVis = {101, -11.762, 1691.3, -0.020172, 2.8483E-09, 2}, VapVis = {102, 1.4668E-07, 0.7617, 110.57, -0.0060267, 0}, LiqK = {16, 0.045516, -168.82, -0.6335, -0.0052944, 0.0000014358}, VapK = {102, 0.00049754, 0.6638, 622.43, -0.0085753, 0}, Racketparam = 0, UniquacR = 3.597891, UniquacQ = 3.044, ChaoSeadAF = 0.370509, ChaoSeadSP = 19942.4, ChaoSeadLV = 0.097018);
+end Dichloroacetylchloride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dicyclopentadiene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dicyclopentadiene.mo
new file mode 100644
index 0000000..618e864
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dicyclopentadiene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dicyclopentadiene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 170, name = "Dicyclopentadiene", CAS = "77-73-6", Tc = 660, Pc = 3060000, Vc = 0.445, Cc = 0.248, Tb = 443, Tm = 305.15, TT = 305.15, TP = 566.19, MW = 132.202, LVB = 0.134736, AF = 0.288011, SP = 17800, DM = 0, SH = -168070000.0, IGHF = 1.961E+08, GEF = 3.75E+08, AS = 240000, HFMP = 2090000, HOC = -5.535E+09, LiqDen = {105, 0.41899, 0.20539, 660, 0.34053, 0}, VP = {101, 72.31496, -7292.827, -7.388294, 3.746895E-06, 2}, LiqCp = {16, 83937, -392.22, 13.886, -0.0031138, 0.000003368}, HOV = {106, 7.0543E+07, 1.9867, -4.6545, 5.1772, -2.0831}, VapCp = {16, 38735, -535.99, 13.553, -0.00031277, 0.0000001075}, LiqVis = {101, -11.633, 1272.8, 0.067676, -1.2999E-07, 2}, VapVis = {102, 0.0000004337, 0.561, 232.6, -0.00081701, 0}, LiqK = {16, 0.029848, 47.178, -2.5363, 0.0023572, -0.0000058893}, VapK = {102, 0.00025878, 0.8604, 51.14, 244020, 0}, Racketparam = 0, UniquacR = 5.8156, UniquacQ = 4.548, ChaoSeadAF = 0.285111, ChaoSeadSP = 17445.1, ChaoSeadLV = 0.138585);
+end Dicyclopentadiene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethanolamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethanolamine.mo
new file mode 100644
index 0000000..46bcf60
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethanolamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diethanolamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 368, name = "Diethanolamine", CAS = "111-42-2", Tc = 736.6, Pc = 4720000, Vc = 0.349, Cc = 0.243, Tb = 542, Tm = 301.15, TT = 301.15, TP = 0.102031, MW = 105.136, LVB = 0.096244, AF = 0.991515, SP = 29260, DM = 2.84E-30, SH = -22600000.0, IGHF = -3.73E+08, GEF = -2.2574E+08, AS = 429000, HFMP = 2.5104E+07, HOC = -2.4439E+09, LiqDen = {105, 0.5251, 0.20924, 736.61, 0.18363, 0}, VP = {10, 23.735, 5441.7, -95.519, 0, 0}, LiqCp = {4, 88234.68, 483.2566, 0.294569, -0.000214761, 0}, HOV = {106, 7.90134E+07, -1.865152, 6.820965, -7.963053, 3.251551}, VapCp = {16, 92216, -624.1, 12.938, -0.00014779, 6.6337E-08}, LiqVis = {101, -0.28702, 6080.5, -3.8708, 0.00001517, 2}, VapVis = {102, 4.7852E-08, 0.89857, 99.058, -7265.2, 0}, LiqK = {16, -0.91328, 16.824, -0.15997, 0.0011516, -0.0000013756}, VapK = {102, -10221, 0.42596, -2.5172E+09, -7.9932E+10, 0}, Racketparam = 0.243, UniquacR = 5.2302, UniquacQ = 4.956, ChaoSeadAF = 0.952882, ChaoSeadSP = 29260, ChaoSeadLV = 0.096244);
+end Diethanolamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylamine.mo
new file mode 100644
index 0000000..d5e23cc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diethylamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 100, name = "Diethylamine", CAS = "109-89-7", Tc = 496.6, Pc = 3710000, Vc = 0.301, Cc = 0.27, Tb = 328.6, Tm = 223.35, TT = 223.35, TP = 374.108, MW = 73.138, LVB = 0.10424, AF = 0.303856, SP = 16610, DM = 3.07E-30, SH = -134990000.0, IGHF = -7.142E+07, GEF = 7.308E+07, AS = 352200, HFMP = 1.14E+07, HOC = -2.8003E+09, LiqDen = {105, 0.73036, 0.23814, 496.66, 0.24991, 0}, VP = {101, 64.68388, -5484.939, -6.37255, 4.185124E-06, 2}, LiqCp = {16, 107090, 694.46, 2.8508, 0.027204, -0.000024864}, HOV = {106, 3.911798E+07, 0.292165, -0.28266, 0.355094, 0.0257197}, VapCp = {16, 85298, -793.64, 13.085, -0.00026826, 6.6572E-08}, LiqVis = {101, -21.138, 1492, 1.4401, -0.0000012994, 2}, VapVis = {102, 4.3797E-07, 0.60244, 253.34, -614.36, 0}, LiqK = {16, 0.066644, -97.786, -0.73312, -0.0054502, -7.5663E-08}, VapK = {102, 0.000016939, 1.2488, -114.17, 77881, 0}, Racketparam = 0.27, UniquacR = 3.68, UniquacQ = 3.17, ChaoSeadAF = 0.303733, ChaoSeadSP = 16543.3, ChaoSeadLV = 0.104234);
+end Diethylamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethyldisulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethyldisulfide.mo
new file mode 100644
index 0000000..98ec750
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethyldisulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diethyldisulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 360, name = "Diethyldisulfide", CAS = "110-81-6", Tc = 642, Pc = 3870000, Vc = 0.358, Cc = 0.26, Tb = 427.15, Tm = 171.65, TT = 171.64, TP = 0.000220562, MW = 122.252, LVB = 0.12376, AF = 0.346925, SP = 18630, DM = 6.54E-30, SH = -22600000.0, IGHF = -7.47E+07, GEF = 2.301E+07, AS = 414000, HFMP = 9406000, HOC = -3.257E+09, LiqDen = {105, 0.77633, 0.27774, 642, 0.3008, 0}, VP = {101, 177.1651, -11358.16, -23.65597, 0.0000232121, 2}, LiqCp = {16, 184820, 1402.4, -9.485, 0.072797, -0.00007939}, HOV = {106, 5.898575E+07, 0.279736, 0.523521, -0.500907, 0.0214669}, VapCp = {16, 100900, -621.21, 12.713, -0.0000050655, -1.705E-08}, LiqVis = {101, -12.559, 1373.4, 0.15118, -3.7692E-07, 2}, VapVis = {102, 6.5143E-08, 0.87157, 110.73, -9132.4, 0}, LiqK = {16, -0.047803, 3.9799, -1.4697, -0.00042308, -0.0000011998}, VapK = {102, 0.00017171, 0.93356, 610.03, 20030, 0}, Racketparam = 0.26, UniquacR = 4.5748, UniquacQ = 3.816, ChaoSeadAF = 0.346925, ChaoSeadSP = 18630, ChaoSeadLV = 0.12376);
+end Diethyldisulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethyleneglycol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethyleneglycol.mo
new file mode 100644
index 0000000..816243e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethyleneglycol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diethyleneglycol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 99, name = "Diethyleneglycol", CAS = "111-46-6", Tc = 744.6, Pc = 4600000, Vc = 0.312, Cc = 0.232, Tb = 517.95, Tm = 262.7, TT = 262.7, TP = 0.00319709, MW = 106.12, LVB = 0.0952681, AF = 0.622105, SP = 28920, DM = 8.41E-30, SH = -134990000.0, IGHF = -5.464E+08, GEF = -3.84E+08, AS = 440000, HFMP = 1.3481E+07, HOC = -2.155E+09, LiqDen = {105, 0.81894, 0.25823, 744.6, 0.23979, 0}, VP = {101, 46.26595, -10205.15, -2.102723, -7.036466E-06, 2}, LiqCp = {16, 188290, 227.63, 5.7157, 0.020545, -0.000018798}, HOV = {106, 1.0853E+08, -0.00876655, 1.770951, -1.359893, -0.0210292}, VapCp = {16, 82107, -687.16, 13.353, -0.00070647, 2.4155E-07}, LiqVis = {101, -374.29, 18192, 55.132, -0.000049166, 2}, VapVis = {102, 6.4523E-08, 0.8468, 24.322, 7352.9, 0}, LiqK = {16, -0.11579, 8.2246, -1.6466, 0.002673, -0.0000035412}, VapK = {102, 500.16, 1.0276, 7.9617E+09, -7.5258E+11, 0}, Racketparam = 0, UniquacR = 4.9415, UniquacQ = 4.8, ChaoSeadAF = 0.621104, ChaoSeadSP = 27775.2, ChaoSeadLV = 0.0952681);
+end Diethyleneglycol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylenetriamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylenetriamine.mo
new file mode 100644
index 0000000..36c1b7b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylenetriamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diethylenetriamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 373, name = "Diethylenetriamine", CAS = "111-40-0", Tc = 676, Pc = 4220000, Vc = 0.426, Cc = 0.257, Tb = 480, Tm = 234, TT = 234.15, TP = 0.0524649, MW = 103.166, LVB = 0.108088, AF = 0.70022, SP = 22210, DM = 0, SH = -22600000.0, IGHF = -5860000, GEF = 2.07293E+08, AS = 444000, HFMP = 1.97E+07, HOC = -3.08E+09, LiqDen = {105, 0.75082, 0.25686, 676, 0.285, 0}, VP = {101, 100.1854, -10608.36, -10.96201, 4.74905E-06, 2}, LiqCp = {16, 42291, -130.86, 11.696, 0.0024243, -0.0000011576}, HOV = {106, 6.200873E+07, -0.521717, 2.922507, -3.785965, 1.591946}, VapCp = {16, 73737, -451.7, 12.705, 0.00030197, -1.0181E-07}, LiqVis = {101, -10.117, 2075.7, -0.40711, 6.9322E-07, 2}, VapVis = {102, 5.7285E-08, 0.85783, 72.519, -3817.5, 0}, LiqK = {16, -0.078667, 1.4114, -1.3167, -0.00041656, -8.7844E-07}, VapK = {102, 0.00017737, 0.94914, 591.08, 27011, 0}, Racketparam = 0.257, UniquacR = 4.6198, UniquacQ = 3.948, ChaoSeadAF = 0.70022, ChaoSeadSP = 22210, ChaoSeadLV = 0.108088);
+end Diethylenetriamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylethanolamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylethanolamine.mo
new file mode 100644
index 0000000..de1fbfd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylethanolamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diethylethanolamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 425, name = "Diethylethanolamine", CAS = "100-37-8", Tc = 616, Pc = 2650000, Vc = 0.4231, Cc = 0.218914, Tb = 434.15, Tm = 235.15, TT = 253, TP = 4.85244, MW = 117.189, LVB = 0.132864, AF = 0.781757, SP = 19100, DM = 8.11E-30, SH = -61100000.0, IGHF = -2.575E+08, GEF = -3.323E+07, AS = 459800, HFMP = 1.84E+07, HOC = -4.03338E+09, LiqDen = {105, 0.63795, 0.25988, 592, 0.27186, 0}, VP = {101, 442.3122, -22650.03, -64.35227, 0.0000641088, 2}, LiqCp = {4, 28933.37, 738.1104, -0.669126, 0.000593149, 0}, HOV = {106, 6.442525E+07, -0.590881, 4.028331, -5.586056, 2.388691}, VapCp = {16, 91061, -562.7, 13.172, -0.000023606, 6.7111E-09}, LiqVis = {101, -83.307, 6061.8, 10.089, -1.4583E-07, 2}, VapVis = {102, 1.3335E-07, 0.7599, 186.08, -6648.4, 0}, LiqK = {16, -0.0045149, -46.605, -1.1875, -0.0019723, -5.2781E-08}, VapK = {102, 0.00013877, 0.99774, 582.26, 23748, 0}, Racketparam = 0.259, UniquacR = 5.315095, UniquacQ = 4.532, ChaoSeadAF = 0.781757, ChaoSeadSP = 19100, ChaoSeadLV = 0.132864);
+end Diethylethanolamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylether.mo
new file mode 100644
index 0000000..25ae98d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diethylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 98, name = "Diethylether", CAS = "60-29-7", Tc = 466.7, Pc = 3640000, Vc = 0.28, Cc = 0.263, Tb = 307.59, Tm = 156.85, TT = 156.85, TP = 0.395447, MW = 74.123, LVB = 0.10475, AF = 0.281, SP = 15420, DM = 3.84E-30, SH = -134990000.0, IGHF = -2.521E+08, GEF = -1.221E+08, AS = 342300, HFMP = 7190000, HOC = -2.5035E+09, LiqDen = {105, 0.97479, 0.27114, 466.7, 0.28433, 0}, VP = {101, 75.39748, -5436.852, -8.193869, 7.812562E-06, 2}, LiqCp = {16, 145290, -2.8208, 5.9722, 0.017041, -0.0000078238}, HOV = {106, 5.331574E+07, 0.876213, 0.475413, -1.944676, 1.061631}, VapCp = {16, 81727, -660.7, 12.61, 0.00016979, -7.4028E-08}, LiqVis = {101, 10.139, -61.707, -3.2168, -9.5022E-09, 2}, VapVis = {102, 0.0000019481, 0.40997, 495.46, 85.073, 0}, LiqK = {16, -0.14221, 30.008, -1.3139, 0.00048013, -0.0000026572}, VapK = {102, -0.0044909, 0.61494, -3258.3, 85.806, 0}, Racketparam = 0, UniquacR = 3.39, UniquacQ = 3.02, ChaoSeadAF = 0.284607, ChaoSeadSP = 15530.3, ChaoSeadLV = 0.104692);
+end Diethylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylsulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylsulfide.mo
new file mode 100644
index 0000000..a7076ed
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diethylsulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diethylsulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 359, name = "Diethylsulfide", CAS = "352-93-2", Tc = 557, Pc = 3960000, Vc = 0.318, Cc = 0.269, Tb = 365.25, Tm = 169.22, TT = 169.2, TP = 0.099321, MW = 90.189, LVB = 0.10851, AF = 0.295, SP = 17490, DM = 5.14E-30, SH = -22600000.0, IGHF = -8.347E+07, GEF = 1.778E+07, AS = 368000, HFMP = 1.19035E+07, HOC = -2.9607E+09, LiqDen = {105, 0.71845, 0.24674, 557.16, 0.25292, 0}, VP = {101, 70.99138, -6108.92, -7.37143, 5.835752E-06, 2}, LiqCp = {16, 145900, 1485.7, -9.9348, 0.077005, -0.000088463}, HOV = {106, 4.6317E+07, 0.40563, -0.17525, 0.12561, 0.018959}, VapCp = {16, 84916, -751.54, 12.969, -0.00026179, 6.4336E-08}, LiqVis = {101, -2.9987, 606.92, -1.2077, 8.2651E-07, 2}, VapVis = {102, 6.8477E-08, 0.85168, 55.152, 236.99, 0}, LiqK = {16, -0.07619, 7.9978, -1.3835, -0.00020735, -0.0000016592}, VapK = {102, 0.0017352, 0.67658, 1116.5, 181260, 0}, Racketparam = 0.269, UniquacR = 3.8629, UniquacQ = 3.296, ChaoSeadAF = 0.295, ChaoSeadSP = 17490, ChaoSeadLV = 0.10851);
+end Diethylsulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisobutylketone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisobutylketone.mo
new file mode 100644
index 0000000..65a2e4f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisobutylketone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diisobutylketone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 316, name = "Diisobutylketone", CAS = "108-83-8", Tc = 620, Pc = 2530000, Vc = 0.522, Cc = 0.253, Tb = 441.4, Tm = 227, TT = 227.17, TP = 0.249815, MW = 142.239, LVB = 0.177418, AF = 0.511608, SP = 16450, DM = 8.87E-30, SH = -1209000000.0, IGHF = -3.576E+08, GEF = -1.13E+08, AS = 509000, HFMP = 0, HOC = -5.31E+09, LiqDen = {105, 0.3783, 0.23231, 620, 0.24664, 0}, VP = {101, 122.1783, -10064.3, -14.70184, 8.652147E-06, 2}, LiqCp = {16, 85834, -102.6, 11.702, 0.0033978, -0.0000021321}, HOV = {106, 4.9161E+07, -1.6509, 5.8937, -6.6307, 2.7354}, VapCp = {16, 118320, -505.35, 13.11, 0.00028036, -1.0389E-07}, LiqVis = {101, -74.692, 4018.6, 9.6018, -0.0000061216, 2}, VapVis = {102, 1.3916E-07, 0.72063, 190.96, -7816.5, 0}, LiqK = {16, -0.12088, 22.25, -1.2974, 0.0000088903, -0.0000012079}, VapK = {102, -380230, 0.02484, 1.3363E+08, -3.9523E+12, 0}, Racketparam = 0.253, UniquacR = 6.6183, UniquacQ = 5.568, ChaoSeadAF = 0.511608, ChaoSeadSP = 16450, ChaoSeadLV = 0.177418);
+end Diisobutylketone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropanolamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropanolamine.mo
new file mode 100644
index 0000000..aedf05f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropanolamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diisopropanolamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 426, name = "Diisopropanolamine", CAS = "110-97-4", Tc = 672, Pc = 3600000, Vc = 0.454, Cc = 0.293, Tb = 521.9, Tm = 315, TT = 318.15, TP = 0.217912, MW = 133.189, LVB = 0.134763, AF = 1.38914, SP = 26610, DM = 0, SH = -61100000.0, IGHF = -4.54E+08, GEF = -2.15E+08, AS = 513000, HFMP = 2.636E+07, HOC = -3.82E+09, LiqDen = {105, 0.54022, 0.24621, 672, 0.22052, 0}, VP = {101, 339.329, -25910.98, -45.42461, 0.0000223088, 2}, LiqCp = {4, 119382.9, 778.3072, -0.00245385, -1.190941E-06, -0.0000013464}, HOV = {106, 1.4113E+08, 0.38119, 1.0156, -1.8242, 0.83437}, VapCp = {16, 104010, -559.93, 13.272, -0.00018865, 9.0295E-08}, LiqVis = {101, -158.9768, 13684.82, 19.79212, 0.0000178855, 1.442815}, VapVis = {102, 1.7289E-07, 0.71286, 205.1, -6089.6, 0}, LiqK = {16, -0.070378, -101.18, -0.46641, -0.0021528, 2.0992E-07}, VapK = {102, 0.0002313, 0.90558, 651.81, 18136, 0}, Racketparam = 0.293, UniquacR = 6.5774, UniquacQ = 6.028, ChaoSeadAF = 1.38914, ChaoSeadSP = 26610, ChaoSeadLV = 0.134763);
+end Diisopropanolamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropylamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropylamine.mo
new file mode 100644
index 0000000..626097d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropylamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diisopropylamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 371, name = "Diisopropylamine", CAS = "108-18-9", Tc = 522.15, Pc = 3200000, Vc = 0.031, Cc = 0.308, Tb = 357.05, Tm = 176.85, TT = 176.85, TP = 0.00447237, MW = 101.19, LVB = 0.141919, AF = 0.388315, SP = 15060, DM = 0, SH = -22600000.0, IGHF = -1.5E+08, GEF = 6.42E+07, AS = 412000, HFMP = 6530000, HOC = -3.99E+09, LiqDen = {105, 0.72754, 0.27918, 522.15, 0.29458, 0}, VP = {101, 237.36, -12403, -33.276, 0.000035165, 2}, LiqCp = {16, 150380, 276.56, 5.7411, 0.021881, -0.000021998}, HOV = {106, 8.537039E+07, -2.459337, 14.73933, -19.70849, 7.844199}, VapCp = {16, 61641, -432.93, 12.839, 0.00037342, -1.4329E-07}, LiqVis = {101, -7.0105, 766.59, -0.57101, -0.0000016173, 2}, VapVis = {102, 5.4462E-07, 0.56686, 334.62, -4787.5, 0}, LiqK = {16, 0.046488, -113.84, -0.63846, -0.0065631, 0.0000029442}, VapK = {102, 0.00048482, 0.81453, 349.64, 151910, 0}, Racketparam = 0.308, UniquacR = 5.0308, UniquacQ = 4.244, ChaoSeadAF = 0, ChaoSeadSP = 0, ChaoSeadLV = 0);
+end Diisopropylamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropylether.mo
new file mode 100644
index 0000000..8e41855
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diisopropylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 323, name = "Diisopropylether", CAS = "108-20-3", Tc = 500.05, Pc = 2880000, Vc = 0.386, Cc = 0.267, Tb = 341.45, Tm = 187.65, TT = 187.65, TP = 6.8582, MW = 102.175, LVB = 0.141775, AF = 0.338683, SP = 14450, DM = 3.77E-30, SH = -1209000000.0, IGHF = -3.18988E+08, GEF = -1.248E+08, AS = 382000, HFMP = 1.103E+07, HOC = -3.70234E+09, LiqDen = {105, 0.72527, 0.27594, 500.05, 0.29413, 0}, VP = {101, 109.5333, -7120.297, -13.51365, 0.0000143778, 2}, LiqCp = {16, 161880, -2.8879, 7.7638, 0.014551, -0.000013251}, HOV = {106, 5.8041E+07, 2.3385, -5.2086, 5.0367, -1.6926}, VapCp = {16, 69454, -410.18, 12.642, 0.00044085, -1.3595E-07}, LiqVis = {101, -9.064, 932.47, -0.38815, 0.0000010323, 2}, VapVis = {102, 4.0782E-07, 0.58517, 121.4, 19303, 0}, LiqK = {16, 0.067752, -462.02, 2.3997, -0.014453, 0.0000029856}, VapK = {102, 0.00010149, 1.0246, 180.97, 93179, 0}, Racketparam = 0.267, UniquacR = 4.7421, UniquacQ = 4.088, ChaoSeadAF = 0.338683, ChaoSeadSP = 14450, ChaoSeadLV = 0.141775);
+end Diisopropylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropylketone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropylketone.mo
new file mode 100644
index 0000000..eba753f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diisopropylketone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diisopropylketone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 317, name = "Diisopropylketone", CAS = "565-80-0", Tc = 582, Pc = 3380000, Vc = 0.416, Cc = 0.262, Tb = 397.5, Tm = 204, TT = 204.81, TP = 0.820585, MW = 114.185, LVB = 0.142561, AF = 0.404427, SP = 16330, DM = 9.11E-30, SH = -1209000000.0, IGHF = -3.16E+08, GEF = -1.237E+08, AS = 427000, HFMP = 1.118E+07, HOC = -4.095E+09, LiqDen = {105, 0.013793, 0.039842, 582, 0.095675, 0}, VP = {101, 107.12, -8385.7, -12.681, 0.0000089823, 2}, LiqCp = {16, 180230, -51.129, 8.6687, 0.010407, -0.0000076786}, HOV = {106, 8.205456E+07, 3.802881, -9.83224, 10.38407, -3.829124}, VapCp = {16, 60064, -502.12, 13.055, 0.00012498, -3.7343E-08}, LiqVis = {101, -5.6405, 1129.7, -1.0122, 0.0000027665, 2}, VapVis = {102, 1.7015E-07, 0.70572, 193.2, -7481.9, 0}, LiqK = {16, -0.11955, 20.681, -1.3034, 0.0000051067, -0.0000013764}, VapK = {102, -9.5076, -0.0072136, 2380.8, -7.251E+07, 0}, Racketparam = 0.262, UniquacR = 5.0493, UniquacQ = 4.568, ChaoSeadAF = 0.404427, ChaoSeadSP = 16330, ChaoSeadLV = 0.142561);
+end Diisopropylketone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylacetylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylacetylene.mo
new file mode 100644
index 0000000..4c994c1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylacetylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dimethylacetylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 74, name = "Dimethylacetylene", CAS = "503-17-3", Tc = 473.2, Pc = 4870000, Vc = 0.221, Cc = 0.274, Tb = 300.13, Tm = 240.91, TT = 240.91, TP = 6121.21, MW = 54.0904, LVB = 0.0788997, AF = 0.238542, SP = 17480, DM = 1.32E-29, SH = 304600000.0, IGHF = 1.457E+08, GEF = 1.849E+08, AS = 283300, HFMP = 9234000, HOC = -2.4189E+09, LiqDen = {105, 1.1717, 0.25895, 473.2, 0.27289, 0}, VP = {101, 66.56107, -4998.053, -6.834282, 6.682052E-06, 2}, LiqCp = {16, 116500, 35.116, 5.8634, 0.0049877, 0.000013087}, HOV = {106, 4761730, -11.5565, 30.6629, -31.89366, 12.67797}, VapCp = {16, 62226, -826.04, 12.513, -0.0002013, 4.9424E-08}, LiqVis = {101, -0.045622, 305.04, -1.6582, -4.749E-08, 2}, VapVis = {102, 0.0000021802, 0.39407, 508.41, 3758, 0}, LiqK = {16, 0.0074431, -154.13, -0.25098, -0.0046292, -7.3662E-08}, VapK = {102, 0.00021497, 0.91998, 214.54, 130500, 0}, Racketparam = 0, UniquacR = 2.8635, UniquacQ = 2.48, ChaoSeadAF = 0.1301, ChaoSeadSP = 17463.7, ChaoSeadLV = 0.0789036);
+end Dimethylacetylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylcarbonate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylcarbonate.mo
new file mode 100644
index 0000000..364855c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylcarbonate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dimethylcarbonate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 412, name = "Dimethylcarbonate", CAS = "616-38-6", Tc = 557, Pc = 4800000, Vc = 0.25163, Cc = 0.261, Tb = 363.24, Tm = 276.15, TT = 273.15, TP = 1825.53, MW = 90.084, LVB = 0.084825, AF = 0.337, SP = 20240, DM = 3.0E-30, SH = -61100000.0, IGHF = -5.701E+08, GEF = -4.524E+08, AS = 321600, HFMP = 1.2E+07, HOC = -1.295E+09, LiqDen = {105, 0.0073625, 0.022214, 557, 0.083013, 0}, VP = {101, 127.2975, -8353.984, -16.14514, 0.0000181933, 2}, LiqCp = {16, 170430, -2560.3, -9.9628, -0.012169, 0.000014736}, HOV = {106, 5.291764E+07, 1.146922, -2.489366, 2.898325, -1.182726}, VapCp = {16, 62577, -594.2, 12.53, -0.000022352, -2.2803E-08}, LiqVis = {101, -235.18, 9633.9, 34.904, -0.000038795, 2}, VapVis = {102, 3.5376E-07, 0.64846, 244.72, -7103.7, 0}, LiqK = {16, 0.011223, -183.44, 0.22279, -0.0056614, 0.0000021056}, VapK = {102, 0.00023689, 0.89541, 568.87, 19356, 0}, Racketparam = 0.261, UniquacR = 3.3822, UniquacQ = 3.086, ChaoSeadAF = 0.337, ChaoSeadSP = 20240, ChaoSeadLV = 0.084825);
+end Dimethylcarbonate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethyldisulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethyldisulfide.mo
new file mode 100644
index 0000000..35fe9e2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethyldisulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dimethyldisulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 361, name = "Dimethyldisulfide", CAS = "624-92-0", Tc = 606, Pc = 5360000, Vc = 0.252, Cc = 0.264, Tb = 382.9, Tm = 188.44, TT = 188.44, TP = 0.207156, MW = 94.199, LVB = 0.0890926, AF = 0.266353, SP = 20060, DM = 6.57E-30, SH = -22600000.0, IGHF = -2.35978E+07, GEF = 1.53553E+07, AS = 336686, HFMP = 9192000, HOC = -2.04376E+09, LiqDen = {105, 1.0289, 0.26919, 615.01, 0.29771, 0}, VP = {101, 81.238, -6951.5, -8.8055, 0.0000055663, 2}, LiqCp = {16, 143050, -21950, 190.58, -0.51509, 0.00050194}, HOV = {106, 5.473869E+07, 0.511523, 0.456682, -1.152343, 0.579651}, VapCp = {16, 74603, -691.43, 12.21, -0.0000028522, -1.9217E-08}, LiqVis = {101, -11.014, 1197, -0.085106, 2.8649E-07, 2}, VapVis = {102, 7.8221E-08, 0.86272, 109.17, -8364.4, 0}, LiqK = {16, -0.035195, -0.25311, -1.4287, -0.00064815, -0.0000012773}, VapK = {102, 0.00022814, 0.8901, 687.63, 4695.8, 0}, Racketparam = 0.264, UniquacR = 3.226, UniquacQ = 2.736, ChaoSeadAF = 0.205916, ChaoSeadSP = 20060, ChaoSeadLV = 0.0890926);
+end Dimethyldisulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylethanolamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylethanolamine.mo
new file mode 100644
index 0000000..2ee7c08
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylethanolamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dimethylethanolamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 378, name = "Dimethylethanolamine", CAS = "108-01-0", Tc = 571.82, Pc = 4140000, Vc = 0.331, Cc = 0.261, Tb = 404.15, Tm = 214.15, TT = 214.15, TP = 0.0376223, MW = 89.1362, LVB = 0.101094, AF = 0.710963, SP = 22790, DM = 7.37E-30, SH = -22600000.0, IGHF = -2.02E+08, GEF = -3.64E+07, AS = 384000, HFMP = 0, HOC = -2.65E+09, LiqDen = {105, 0.87166, 0.26133, 571.82, 0.28585, 0}, VP = {101, 121.6094, -10451.37, -14.23754, 0.000006927, 2}, LiqCp = {16, 66692, -55.489, 10.897, 0.0047237, -0.0000030382}, HOV = {106, 7.9011E+07, 0.56455, -0.031757, -0.28621, 0.17191}, VapCp = {16, 71203, -582.55, 12.891, -0.000082299, 3.2172E-08}, LiqVis = {101, -15.376, 3350.8, -0.34232, 9.4723E-07, 2}, VapVis = {102, 1.2904E-07, 0.77955, 165.36, -6888.3, 0}, LiqK = {16, -0.083559, -10.945, -0.99458, -0.00097463, -8.1342E-07}, VapK = {102, 0.00023136, 0.92757, 412.5, 95357, 0}, Racketparam = 0.261, UniquacR = 4.4363, UniquacQ = 4.068, ChaoSeadAF = 0.710963, ChaoSeadSP = 22790, ChaoSeadLV = 0.101094);
+end Dimethylethanolamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylether.mo
new file mode 100644
index 0000000..de11e5f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dimethylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 53, name = "Dimethylether", CAS = "115-10-6", Tc = 400.1, Pc = 5400000, Vc = 0.17, Cc = 0.276, Tb = 248.31, Tm = 131.66, TT = 131.65, TP = 3.04959, MW = 46.069, LVB = 0.06907, AF = 0.191, SP = 15120, DM = 4.34E-30, SH = -184100000.0, IGHF = -1.841E+08, GEF = -1.128E+08, AS = 266700, HFMP = 4937000, HOC = -1.3284E+09, LiqDen = {105, 1.4889, 0.26123, 400.1, 0.27948, 0}, VP = {101, 50.32175, -3631.453, -4.444735, 5.290757E-06, 2}, LiqCp = {16, 97754, 353.35, -1.896, 0.040999, -0.000017816}, HOV = {106, 3.8521E+07, 2.2845, -5.7518, 6.5695, -2.6976}, VapCp = {16, 37573.94, -346.059, 11.12596, 0.00118434, -4.086847E-07}, LiqVis = {101, -10.661, 449.83, 0.0072727, -3.6906E-08, 2}, VapVis = {102, 0.0000027281, 0.3952, 534.12, 2319, 0}, LiqK = {16, -0.15344, -11.847, -0.56462, -0.0022104, 5.6048E-07}, VapK = {102, 0.059968, 0.26671, 1018.3, 1098900, 0}, Racketparam = 0, UniquacR = 2.0461, UniquacQ = 1.936, ChaoSeadAF = 0.2, ChaoSeadSP = 15212.1, ChaoSeadLV = 0.0703107);
+end Dimethylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylsulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylsulfide.mo
new file mode 100644
index 0000000..c8b4829
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylsulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dimethylsulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 55, name = "Dimethylsulfide", CAS = "75-18-3", Tc = 503, Pc = 5530000, Vc = 0.201, Cc = 0.266, Tb = 310.48, Tm = 174.88, TT = 174.88, TP = 7.86415, MW = 62.136, LVB = 0.07377, AF = 0.19, SP = 18530, DM = 5.0E-30, SH = -184100000.0, IGHF = -3.724E+07, GEF = 7302000, AS = 285850, HFMP = 7984700, HOC = -1.7443E+09, LiqDen = {105, 1.1867, 0.25844, 503.06, 0.24773, 0}, VP = {101, 14.07567, -3435.088, 1.598135, -0.0000069451, 2}, LiqCp = {16, 112410, -20036, 201.07, -0.63397, 0.0007177}, HOV = {106, 5.490637E+07, 1.721854, -2.161256, 0.932609, -0.0179494}, VapCp = {16, 56893, -682.39, 12.01, 0.00013748, -5.7442E-08}, LiqVis = {101, -15.044, 992.97, 0.60378, 0.0000010306, 2}, VapVis = {102, 4.8631E-07, 0.62748, 355.22, -11800, 0}, LiqK = {16, 0.10006, -155.98, -0.57159, -0.0045066, -0.0000087305}, VapK = {102, 0.00026184, 0.91507, 780.75, -32167, 0}, Racketparam = 0.273888, UniquacR = 2.5141, UniquacQ = 2.216, ChaoSeadAF = 0.189279, ChaoSeadSP = 18513.3, ChaoSeadLV = 0.0730914);
+end Dimethylsulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylsulfoxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylsulfoxide.mo
new file mode 100644
index 0000000..379d1a9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylsulfoxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dimethylsulfoxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 204, name = "Dimethylsulfoxide", CAS = "67-68-5", Tc = 729, Pc = 5650000, Vc = 0.227, Cc = 0.212, Tb = 462.15, Tm = 291.67, TT = 291.67, TP = 50.2288, MW = 78.1334, LVB = 0.071277, AF = 0.280551, SP = 26750, DM = 1.32E-29, SH = -1209000000.0, IGHF = -2.092E+08, GEF = -1.157E+08, AS = 306300, HFMP = 1.393E+07, HOC = -1.6054E+09, LiqDen = {105, 1.1064, 0.25156, 729, 0.33043, 0}, VP = {101, 87.24911, -9095.583, -9.246359, 3.215062E-06, 2}, LiqCp = {16, 148920, 274.35, 2.2127, 0.017296, -0.000001184}, HOV = {106, 4.1934E+08, 12.701, -33.974, 36.922, -14.839}, VapCp = {16, 61635, -582.63, 12.205, -0.000053872, 2.2232E-08}, LiqVis = {101, 33.492, 223.29, -7.3227, 0.000014294, 2}, VapVis = {102, 8.6219E-08, 0.83436, 168.37, -97.445, 0}, LiqK = {16, 0.081843, -215.42, 0.15922, -0.0051305, 0.0000011114}, VapK = {102, 0.0006441, 0.77214, 1010.2, 82198, 0}, Racketparam = 0.212, UniquacR = 2.8266, UniquacQ = 2.472, ChaoSeadAF = 0.280551, ChaoSeadSP = 26750, ChaoSeadLV = 0.071277);
+end Dimethylsulfoxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylterephthalate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylterephthalate.mo
new file mode 100644
index 0000000..5bc9beb
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dimethylterephthalate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dimethylterephthalate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 408, name = "Dimethylterephthalate", CAS = "120-61-6", Tc = 772, Pc = 2780000, Vc = 0.529, Cc = 0.229, Tb = 555.15, Tm = 413.8, TT = 413.8, TP = 1257.73, MW = 194.184, LVB = 0.180564, AF = 0.637086, SP = 17710, DM = 7.3E-30, SH = -61100000.0, IGHF = -6.37E+08, GEF = -4.74E+08, AS = 550000, HFMP = 3.09E+07, HOC = -4.4115E+09, LiqDen = {105, 0.50864, 0.26895, 772, 0.26133, 0}, VP = {101, 87.35202, -11061.82, -8.88269, 1.566691E-07, 2}, LiqCp = {16, 306140, 1151.8, 1.8179, 0.019226, -0.0000087371}, HOV = {106, 4.927268E+07, -0.826644, 0.840569, 0.547723, -0.373819}, VapCp = {16, 95546, -944.26, 15.059, -0.0027373, 0.0000012901}, LiqVis = {101, -9.6027, 1845.8, -0.28991, 2.7867E-07, 2}, VapVis = {102, 1.5497E-10, 1.62, -527.6, 101960, 0}, LiqK = {16, -0.015206, -275.63, 0.058569, -0.0035078, 7.3745E-07}, VapK = {102, -21938, 0.32202, -4.3275E+09, -1.5265E+11, 0}, Racketparam = 0.229, UniquacR = 6.6618, UniquacQ = 5.296, ChaoSeadAF = 0.637086, ChaoSeadSP = 17710, ChaoSeadLV = 0.180564);
+end Dimethylterephthalate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dinbutylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dinbutylether.mo
new file mode 100644
index 0000000..2299125
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dinbutylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dinbutylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 324, name = "Dinbutylether", CAS = "142-96-1", Tc = 580.15, Pc = 2380000, Vc = 0.511, Cc = 0.247, Tb = 415.35, Tm = 177.95, TT = 175.3, TP = 0.000714135, MW = 130.228, LVB = 0.17041, AF = 0.447646, SP = 15830, DM = 3.9E-30, SH = -1209000000.0, IGHF = -3.339E+08, GEF = -8.827E+07, AS = 481200, HFMP = 1.63E+07, HOC = -4.94716E+09, LiqDen = {105, 0.22926, 0.17412, 584.11, 0.21764, 0}, VP = {101, 95.7043, -8294.241, -10.81822, 6.127187E-06, 2}, LiqCp = {16, 198760, 65.432, 9.8123, 0.0039694, 8.4178E-07}, HOV = {106, 6.4859E+07, 0.77992, -0.72383, 0.38094, -0.025388}, VapCp = {16, 152990, -805.71, 13.605, -0.00024656, 5.3497E-08}, LiqVis = {101, 20.743, -83.003, -4.9404, 0.000004096, 2}, VapVis = {102, 0.0000002113, 0.66224, 141.56, 6932, 0}, LiqK = {16, -0.067128, 2.4703, -1.3291, -0.0010011, -2.5742E-07}, VapK = {102, 0.0036064, 0.57918, 1401.9, 287150, 0}, Racketparam = 0.247, UniquacR = 6.0925, UniquacQ = 5.176, ChaoSeadAF = 0.447646, ChaoSeadSP = 15830, ChaoSeadLV = 0.17041);
+end Dinbutylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dinpropyldisulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dinpropyldisulfide.mo
new file mode 100644
index 0000000..bc8597c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dinpropyldisulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dinpropyldisulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 362, name = "Dinpropyldisulfide", CAS = "629-19-6", Tc = 727.15, Pc = 3009350, Vc = 0.518, Cc = 0.25, Tb = 466.65, Tm = 187.15, TT = 187.66, TP = 0.000767693, MW = 150.305, LVB = 0.157229, AF = 0.142024, SP = 17950, DM = 6.6E-30, SH = -22600000.0, IGHF = -1.173E+08, GEF = 3.849E+07, AS = 490000, HFMP = 1.381E+07, HOC = -4.53027E+09, LiqDen = {105, 0.0083051, 0.032244, 727.15, 0.12866, 0}, VP = {101, 37.30305, -7362.883, -1.323142, -8.891834E-06, 2}, LiqCp = {16, 195280, 206.99, 8.2539, 0.0083402, -0.0000036311}, HOV = {106, 5.27924E+07, -0.627848, 2.812662, -3.633008, 1.997715}, VapCp = {16, 135200, -728.45, 13.4, -0.00037376, 9.4294E-08}, LiqVis = {101, -9.576, 1437.8, -0.35065, 0.0000011166, 2}, VapVis = {102, 6.2944E-08, 0.86495, 121.54, -9663.6, 0}, LiqK = {16, -0.066065, 4.827, -1.4132, -0.00039942, -9.1868E-07}, VapK = {102, 0.00015595, 0.95139, 651.61, 14665, 0}, Racketparam = 0.25, UniquacR = 5.9236, UniquacQ = 4.896, ChaoSeadAF = 0.436981, ChaoSeadSP = 17950, ChaoSeadLV = 0.157229);
+end Dinpropyldisulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dinpropylsulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dinpropylsulfide.mo
new file mode 100644
index 0000000..2ee51fc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Dinpropylsulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Dinpropylsulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 358, name = "Dinpropylsulfide", CAS = "111-47-7", Tc = 608, Pc = 3080000, Vc = 0.412, Cc = 0.251, Tb = 415.978, Tm = 170.55, TT = 170.44, TP = 0.000440358, MW = 118.24, LVB = 0.141918, AF = 0.374042, SP = 17110, DM = 5.5E-30, SH = -22600000.0, IGHF = -1.254E+08, GEF = 2.15E+07, AS = 447000, HFMP = 1.214E+07, HOC = -4.1801E+09, LiqDen = {105, 0.66296, 0.27313, 608, 0.29224, 0}, VP = {101, 149.6373, -10251.56, -19.3067, 0.0000171365, 2}, LiqCp = {16, 165300, 330.45, 6.4516, 0.01426, -0.000009041}, HOV = {106, 5.7575E+07, 0.38334, 0.098397, -0.17233, 0.065159}, VapCp = {16, 105470, -659.93, 13.199, -0.00015, 2.3041E-08}, LiqVis = {101, -10.285, 1150.9, -0.17064, 6.2281E-07, 2}, VapVis = {102, 7.5739E-08, 0.838, 116.99, -6475.6, 0}, LiqK = {16, -0.078109, 7.1733, -1.4231, -0.000097639, -0.0000015465}, VapK = {102, 0.0086151, 0.48706, 1648.6, 489220, 0}, Racketparam = 0.251, UniquacR = 5.2117, UniquacQ = 4.376, ChaoSeadAF = 0.374042, ChaoSeadSP = 17110, ChaoSeadLV = 0.141918);
+end Dinpropylsulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diphenyldisulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diphenyldisulfide.mo
new file mode 100644
index 0000000..54ea3fe
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Diphenyldisulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Diphenyldisulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 366, name = "Diphenyldisulfide", CAS = "882-33-7", Tc = 829.8, Pc = 3569000, Vc = 0.584, Cc = 0.302, Tb = 583.15, Tm = 333.5, TT = 333.5, TP = 0.49, MW = 218.338, LVB = 0.2076, AF = 0.569717, SP = 20480, DM = 5.97E-30, SH = -22600000.0, IGHF = 2.628E+08, GEF = 3.518E+08, AS = 489300, HFMP = 1.93E+07, HOC = -6.676E+09, LiqDen = {105, 0.5173, 0.302, 829.8, 0.28571, 0}, VP = {101, 927.5541, -59320.23, -131.1073, 0.000060625, 2}, LiqCp = {100, 267470, 28.884, 0.54728, 0, 0}, HOV = {106, 1.1805E+08, 0.46278, 0.25764, -0.22402, -0.0012437}, VapCp = {16, 50433, -472.23, 13.469, -0.00011605, 2.3877E-08}, LiqVis = {101, -10.832, 1659.3, -0.039017, -1.1543E-07, 2}, VapVis = {102, 5.542E-08, 0.87669, 123.7, -14104, 0}, LiqK = {16, -0.040762, -52.269, -1.2013, -0.001172, -1.6247E-07}, VapK = {102, 0.0000021936, 1.4453, -128.48, 46604, 0}, Racketparam = 0.302, UniquacR = 7.6308, UniquacQ = 5.496, ChaoSeadAF = 0.569717, ChaoSeadSP = 20480, ChaoSeadLV = 0.2076);
+end Diphenyldisulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Disecbutylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Disecbutylether.mo
new file mode 100644
index 0000000..9dc1a65
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Disecbutylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Disecbutylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 325, name = "Disecbutylether", CAS = "6863-58-7", Tc = 562, Pc = 2556000, Vc = 0.487, Cc = 0.269, Tb = 394.2, Tm = 173.15, TT = 173.15, TP = 0.0027863, MW = 130.228, LVB = 0.171577, AF = 0.329, SP = 14950, DM = 0, SH = -1209000000.0, IGHF = -3.609E+08, GEF = -1.157E+08, AS = 501000, HFMP = 0, HOC = -4.9233E+09, LiqDen = {105, 0.038135, 0.072155, 562, 0.11862, 0}, VP = {101, 102.5292, -8146.755, -11.97808, 8.058954E-06, 2}, LiqCp = {16, 102180, -37.551, 10.606, 0.0064949, -0.0000048029}, HOV = {106, 5.5999E+07, 0.34375, 0.18962, -0.14755, -0.0040987}, VapCp = {16, 94528, -497.39, 13.241, 0.000057744, -1.2606E-09}, LiqVis = {101, -10.318, 1230.4, -0.20919, 4.9411E-07, 2}, VapVis = {102, 1.1864E-07, 0.74861, 137.78, -4500.8, 0}, LiqK = {16, 0.027499, 27.604, -2.2754, 0.00032105, -0.0000044406}, VapK = {102, 0.00016749, 0.96101, 656.84, -691.7, 0}, Racketparam = 0.269, UniquacR = 6.0909, UniquacQ = 5.168, ChaoSeadAF = 0.329, ChaoSeadSP = 14950, ChaoSeadLV = 0.171577);
+end Disecbutylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ditertbutyldisulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ditertbutyldisulfide.mo
new file mode 100644
index 0000000..a97b481
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ditertbutyldisulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ditertbutyldisulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 363, name = "Ditertbutyldisulfide", CAS = "110-06-5", Tc = 689.7, Pc = 3159000, Vc = 0.518, Cc = 0.285, Tb = 473.6, Tm = 268.2, TT = 268.2, TP = 9.12, MW = 178.359, LVB = 0.1947, AF = 0.402005, SP = 15680, DM = 6.2E-30, SH = -22600000.0, IGHF = -1.998E+08, GEF = 3.427E+07, AS = 500100, HFMP = 1.31E+07, HOC = -5.665E+09, LiqDen = {105, 0.60778, 0.31522, 689.7, 0.2884, 0}, VP = {101, 113.63, -10180, -13.332, 0.0000068178, 2}, LiqCp = {16, 273850, -799.3, 13.794, -0.001521, 0.0000014598}, HOV = {106, 5.0039E+07, -1.4285, 5.5884, -6.8503, 3.0089}, VapCp = {16, 171300, -806, 13.98, -0.00069575, 1.6372E-07}, LiqVis = {101, -10.435, 1172.7, 0, 0, 0}, VapVis = {102, 0.0000001005, 0.79652, 148.51, -7648.2, 0}, LiqK = {16, -0.019283, -53.989, -1.1745, -0.0017696, -1.3435E-07}, VapK = {102, 0.00018425, 0.91582, 448.35, 58650, 0}, Racketparam = 0.285, UniquacR = 5.9221, UniquacQ = 4.972, ChaoSeadAF = 0.402005, ChaoSeadSP = 15680, ChaoSeadLV = 0.1947);
+end Ditertbutyldisulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethane.mo
new file mode 100644
index 0000000..40dc07a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 51, name = "Ethane", CAS = "74-84-0", Tc = 305.32, Pc = 4872000, Vc = 0.1455, Cc = 0.279, Tb = 184.55, Tm = 90.352, TT = 90.352, TP = 1.13, MW = 30.07, LVB = 0.04615, AF = 0.099, SP = 12400, DM = 0, SH = -83820000.0, IGHF = -8.382E+07, GEF = -3.192E+07, AS = 229120, HFMP = 2859000, HOC = -1.42864E+09, LiqDen = {105, 1.3749, 0.23949, 305.43, 0.22875, 0}, VP = {101, 61.43744, -2814.319, -6.778053, 0.0000210827, 2}, LiqCp = {16, 68726, -1953.6, 31.772, -0.10571, 0.00019673}, HOV = {106, 2.3996E+07, 1.4625, -2.8991, 2.8421, -0.99532}, VapCp = {16, 35666.22, -616.5198, 11.69914, 0.000444525, -1.541942E-07}, LiqVis = {101, -33.92204, 743.404, 4.302492, -0.0000364469, 2}, VapVis = {102, 5.2452E-07, 0.58906, 188.8, -2953.8, 0}, LiqK = {16, -0.073876, -9.6787, -0.67405, -0.003407, -0.0000022023}, VapK = {102, 0.000074549, 1.168, 506.4, -881.74, 0}, Racketparam = 0.2793, UniquacR = 1.8022, UniquacQ = 1.696, ChaoSeadAF = 0.0908, ChaoSeadSP = 12375.2, ChaoSeadLV = 0.0551979);
+end Ethane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethanol.mo
new file mode 100644
index 0000000..a579c60
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 52, name = "Ethanol", CAS = "64-17-5", Tc = 513.92, Pc = 6148000, Vc = 0.167, Cc = 0.24, Tb = 351.8, Tm = 159.05, TT = 159.05, TP = 0.000495642, MW = 46.069, LVB = 0.05868, AF = 0.649, SP = 26140, DM = 5.64E-30, SH = -83820000.0, IGHF = -2.3495E+08, GEF = -1.6785E+08, AS = 280640, HFMP = 4931000, HOC = -1.235E+09, LiqDen = {105, 1.3539, 0.24957, 515.66, 0.22099, 0}, VP = {101, 88.0754, -7652.06, -9.471507, 5.928087E-06, 2}, LiqCp = {16, 76684, 675.72, -0.093875, 0.037153, -0.000031214}, HOV = {106, 6.3899E+07, 1.2782, -2.673, 2.7973, -1.0209}, VapCp = {16, 44530, -660.89, 12.153, 0.000019532, -1.5636E-08}, LiqVis = {101, 8.061, 774.76, -3.0701, -4.3408E-09, 2}, VapVis = {102, 1.2467E-07, 0.7862, 76.034, -2017.3, 0}, LiqK = {16, 0.10247, -120.39, -0.48487, -0.0071706, 0.000003461}, VapK = {102, -0.01001, 0.64925, -7360.5, -255250, 0}, Racketparam = 0, UniquacR = 2.11, UniquacQ = 1.97, ChaoSeadAF = 0.634, ChaoSeadSP = 26133.3, ChaoSeadLV = 0.0586177);
+end Ethanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/EthylPhenylCarbonate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/EthylPhenylCarbonate.mo
new file mode 100644
index 0000000..18fc5ce
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/EthylPhenylCarbonate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model EthylPhenylCarbonate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 416, name = "EthylPhenylCarbonate", CAS = "3878-46-4", Tc = 729.29, Pc = 2529800, Vc = 0.55209, Cc = 0.230336, Tb = 522.67, Tm = 0, TT = 0, TP = 0, MW = 166.1762, LVB = 0.18105, AF = 0.54406, SP = 18670.52, DM = 0, SH = -61100000.0, IGHF = 1.138466E+08, GEF = 1.263844E+08, AS = 970006.4, HFMP = 0, HOC = -4.867867, LiqDen = {0, 0, 0, 0, 0, 0}, VP = {10, 22.88975, 5939.5, 0, 0, 0}, LiqCp = {0, 0, 0, 0, 0, 0}, HOV = {106, 5.2005E+07, 0.38, 0, 0, 0}, VapCp = {4, -38289, 684.92, -0.4426, 0.0001095, 0}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {0, 0, 0, 0, 0, 0}, LiqK = {16, 0, 0, 0, 0, 0}, VapK = {0, 0, 0, 0, 0, 0}, Racketparam = 0.230336, UniquacR = 6.1772, UniquacQ = 4.898, ChaoSeadAF = 0.54406, ChaoSeadSP = 0, ChaoSeadLV = 0.18105);
+end EthylPhenylCarbonate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylacetate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylacetate.mo
new file mode 100644
index 0000000..35001f3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylacetate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylacetate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 87, name = "Ethylacetate", CAS = "141-78-6", Tc = 523.2, Pc = 3830000, Vc = 0.286, Cc = 0.252, Tb = 350.21, Tm = 189.6, TT = 189.6, TP = 1.43179, MW = 88.106, LVB = 0.09855, AF = 0.361, SP = 18350, DM = 5.94E-30, SH = -17100000.0, IGHF = -4.445E+08, GEF = -3.28E+08, AS = 359700, HFMP = 1.048E+07, HOC = -2.061E+09, LiqDen = {105, 0.78926, 0.24295, 523.26, 0.25762, 0}, VP = {101, 93.16862, -7073.291, -10.65983, 8.16528E-06, 2}, LiqCp = {16, 129430, 961.92, -0.12694, 0.034745, -0.000031346}, HOV = {106, 4.9527E+07, 0.37029, 0.072685, -0.077493, 0.017381}, VapCp = {16, 97183, -1121.4, 13.827, -0.0012343, 3.6158E-07}, LiqVis = {101, 16.428, -219.29, -4.124, 6.0568E-07, 2}, VapVis = {102, 0.0000034514, 0.35236, 732.29, -3982.4, 0}, LiqK = {16, 0.040771, -127.25, -0.26995, -0.0055753, 9.9363E-07}, VapK = {102, 2.3264E-07, 1.902, 102.58, -17015, 0}, Racketparam = 0, UniquacR = 3.48, UniquacQ = 3.12, ChaoSeadAF = 0.362, ChaoSeadSP = 18345.6, ChaoSeadLV = 0.0985939);
+end Ethylacetate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylacetylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylacetylene.mo
new file mode 100644
index 0000000..f88fa8f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylacetylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylacetylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 75, name = "Ethylacetylene", CAS = "107-00-6", Tc = 440, Pc = 4600000, Vc = 0.208, Cc = 0.262, Tb = 281.21, Tm = 147.429, TT = 147.43, TP = 1.17966, MW = 54.092, LVB = 0.08322, AF = 0.245, SP = 15950, DM = 2.7E-30, SH = 165200000.0, IGHF = 1.652E+08, GEF = 2.0225E+08, AS = 290390, HFMP = 6029270, HOC = -2.4647E+09, LiqDen = {105, 1.3447, 0.27928, 440, 0.29778, 0}, VP = {101, 76.044, -5031.59, -8.40406, 9.681824E-06, 2}, LiqCp = {16, 109820, 1148.7, -9.607, 0.084548, -0.00010384}, HOV = {106, 3.604722E+07, 0.546439, -0.26185, 0, 0}, VapCp = {16, 44709, -441.89, 11.889, 0.00039371, -1.2645E-07}, LiqVis = {101, -4.3451, 354.46, -0.92921, -0.0000006027, 2}, VapVis = {102, 0.0000027867, 0.37696, 663.32, 30.832, 0}, LiqK = {16, -0.032845, 13.956, -1.5811, -0.00025138, -0.0000029965}, VapK = {102, 0.000036868, 1.1429, -57.854, 83816, 0}, Racketparam = 0, UniquacR = 2.8675, UniquacQ = 2.476, ChaoSeadAF = 0.246864, ChaoSeadSP = 16554, ChaoSeadLV = 0.0809511);
+end Ethylacetylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylamine.mo
new file mode 100644
index 0000000..e7bc131
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 57, name = "Ethylamine", CAS = "75-04-7", Tc = 456.4, Pc = 5630000, Vc = 0.1818, Cc = 0.267, Tb = 289.75, Tm = 192.15, TT = 192.15, TP = 151.827, MW = 45.084, LVB = 0.06659, AF = 0.276, SP = 19100, DM = 4.07E-30, SH = -47150000.0, IGHF = -4.715E+07, GEF = 3.616E+07, AS = 284800, HFMP = 9350000, HOC = -1.5874E+09, LiqDen = {105, 1.3663, 0.25297, 456.4, 0.27948, 0}, VP = {101, 115.5255, -6764.221, -14.43912, 0.0000155603, 2}, LiqCp = {16, 129790, -12366, -31.003, 0.53709, -0.00091494}, HOV = {106, 4.2765E+07, 0.58718, -0.33502, 0.17251, -0.0015134}, VapCp = {16, 55762, -832.71, 12.632, -0.00036845, 1.1147E-07}, LiqVis = {101, -41.853, 1619.5, 5.3649, -0.000030563, 2}, VapVis = {102, 5.0871E-07, 0.59417, 255.23, -186.42, 0}, LiqK = {16, 0.17744, 585.82, -11.165, 0.043182, -0.000095024}, VapK = {102, 0.40679, 0.005162, 1280.6, 1721800, 0}, Racketparam = 0, UniquacR = 2.2703, UniquacQ = 2.084, ChaoSeadAF = 0.285061, ChaoSeadSP = 19493.4, ChaoSeadLV = 0.0656335);
+end Ethylamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylbenzene.mo
new file mode 100644
index 0000000..46dd319
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 149, name = "Ethylbenzene", CAS = "100-41-4", Tc = 617.15, Pc = 3609000, Vc = 0.374, Cc = 0.263, Tb = 409.36, Tm = 178.2, TT = 178.2, TP = 0.00390778, MW = 106.167, LVB = 0.12308, AF = 0.304, SP = 17980, DM = 2.0E-30, SH = -168070000.0, IGHF = 2.992E+07, GEF = 1.3073E+08, AS = 360630, HFMP = 9180300, HOC = -4.3448E+09, LiqDen = {105, 0.66155, 0.25394, 617.21, 0.27883, 0}, VP = {101, 137.5088, -9745.069, -17.34457, 0.0000127987, 2}, LiqCp = {16, 131820, -90.983, 10.031, 0.0026504, 0.0000033965}, HOV = {106, 5.990732E+07, 0.380483, 1.094304, -2.185536, 1.1369}, VapCp = {16, 65434, -619.34, 13.166, -0.00016412, 4.1529E-08}, LiqVis = {101, -14.506, 1237.2, 0.52859, -9.1363E-08, 2}, VapVis = {102, 0.0000016833, 0.39831, 366.45, 23750, 0}, LiqK = {16, -0.026087, 13.301, -1.6623, -0.00027844, -0.0000018214}, VapK = {102, 0.000015932, 1.3226, 486.47, 14367, 0}, Racketparam = 0, UniquacR = 4.6, UniquacQ = 3.51, ChaoSeadAF = 0.2936, ChaoSeadSP = 17979.95, ChaoSeadLV = 0.1231);
+end Ethylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylchloride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylchloride.mo
new file mode 100644
index 0000000..3b740d4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylchloride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylchloride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 50, name = "Ethylchloride", CAS = "75-00-3", Tc = 460.3, Pc = 5300000, Vc = 0.199, Cc = 0.276, Tb = 285.42, Tm = 136.75, TT = 134.8, TP = 0.1249, MW = 64.514, LVB = 0.07258, AF = 0.194, SP = 17250, DM = 6.84E-30, SH = -112260000.0, IGHF = -1.1226E+08, GEF = -6.0499E+07, AS = 275780, HFMP = 4451800, HOC = -1.2849E+09, LiqDen = {105, 1.3553, 0.26895, 460.36, 0.24994, 0}, VP = {101, 51.28342, -4206.393, -4.478839, 3.812824E-06, 2}, LiqCp = {16, 95946, -7247, 67.469, -0.16696, 0.00017795}, HOV = {106, 3.61548E+07, 0.981924, -2.026046, 2.205811, -0.774155}, VapCp = {16, 12765.96, -117.0948, 11.04141, 0.00111696, -3.565557E-07}, LiqVis = {101, -10.065, 698.32, -0.097691, 8.0018E-08, 2}, VapVis = {102, 3.2572E-07, 0.66869, 165.43, -2726.9, 0}, LiqK = {16, 0.062544, 150.84, -4.3182, 0.012599, -0.000031799}, VapK = {102, -19.83, 0.20145, -728060, -2.7917E+08, 0}, Racketparam = 0, UniquacR = 2.3665, UniquacQ = 2.112, ChaoSeadAF = 0.190636, ChaoSeadSP = 17772.6, ChaoSeadLV = 0.0708426);
+end Ethylchloride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylcyclohexane.mo
new file mode 100644
index 0000000..e16085d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 153, name = "Ethylcyclohexane", CAS = "1678-91-7", Tc = 609.15, Pc = 3040000, Vc = 0.43, Cc = 0.258, Tb = 404.945, Tm = 161.839, TT = 161.839, TP = 0.000357389, MW = 112.213, LVB = 0.143036, AF = 0.245525, SP = 16340, DM = 0, SH = -168070000.0, IGHF = -1.715E+08, GEF = 3.955E+07, AS = 382600, HFMP = 8334100, HOC = -4.87051E+09, LiqDen = {105, 0.61774, 0.26525, 609.15, 0.28064, 0}, VP = {101, 80.60435, -7221.846, -8.661516, 4.619539E-06, 2}, LiqCp = {16, 106540, 50.724, 9.3758, 0.0085193, -0.0000058679}, HOV = {106, 6.1066E+07, 1.1095, -1.6401, 1.5232, -0.54256}, VapCp = {16, 99579, -799.66, 13.811, -0.00043634, 1.1487E-07}, LiqVis = {101, -22.531, 1686, 1.7093, -0.0000001282, 2}, VapVis = {102, 4.2871E-07, 0.57053, 258.88, -2237.2, 0}, LiqK = {16, -0.040212, 3.9673, -1.6044, -0.00049691, -0.0000012623}, VapK = {102, 0.000062751, 1.1219, 488.85, 45648, 0}, Racketparam = 0, UniquacR = 5.3944, UniquacQ = 4.316, ChaoSeadAF = 0.2426, ChaoSeadSP = 16360, ChaoSeadLV = 0.143117);
+end Ethylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylcyclopentane.mo
new file mode 100644
index 0000000..ca2f5a3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 145, name = "Ethylcyclopentane", CAS = "1640-89-7", Tc = 569.5, Pc = 3397000, Vc = 0.375, Cc = 0.269, Tb = 376.59, Tm = 134.71, TT = 134.71, TP = 3.71437E-06, MW = 98.188, LVB = 0.12883, AF = 0.27, SP = 16250, DM = 0, SH = -168070000.0, IGHF = -1.269E+08, GEF = 4.48E+07, AS = 378300, HFMP = 6869700, HOC = -4.2839E+09, LiqDen = {105, 0.72259, 0.26996, 569.5, 0.2784, 0}, VP = {101, 95.769, -7366.4, -11.099, 0.0000081014, 2}, LiqCp = {16, 128880, 403.43, 3.1567, 0.031507, -0.000033176}, HOV = {106, 5.78221E+07, 0.856257, -0.338119, -0.391894, 0.299953}, VapCp = {16, 61352, -623.48, 13.275, -0.000068613, 9.3089E-09}, LiqVis = {101, -3.6105, 709.69, -1.12, 8.8328E-07, 2}, VapVis = {102, 0.0000021783, 0.38064, 577.64, 269.9, 0}, LiqK = {16, -0.019932, 6.51, -1.7114, -0.0004148, -0.0000019629}, VapK = {102, 0.0047981, 0.52948, 335.74, 590020, 0}, Racketparam = 0, UniquacR = 4.72, UniquacQ = 3.776, ChaoSeadAF = 0.271548, ChaoSeadSP = 16339.4, ChaoSeadLV = 0.128749);
+end Ethylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylene.mo
new file mode 100644
index 0000000..de776b0
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 43, name = "Ethylene", CAS = "74-85-1", Tc = 282.34, Pc = 5041000, Vc = 0.1311, Cc = 0.282, Tb = 169.42, Tm = 104, TT = 104, TP = 125.988, MW = 28.054, LVB = 0.05107, AF = 0.087, SP = 12440, DM = 0, SH = 52510000.0, IGHF = 5.251E+07, GEF = 6.844E+07, AS = 219200, HFMP = 3351000, HOC = -1.323E+09, LiqDen = {105, 2.3782, 0.29542, 282.36, 0.32456, 0}, VP = {101, 54.53229, -2458.42, -5.660037, 0.0000194185, 2}, LiqCp = {16, 68016, -22414, 286.75, -1.1802, 0.0017304}, HOV = {106, 2.1658E+07, 1.2164, -2.1538, 2.0768, -0.73096}, VapCp = {16, 33071.93, -860.0281, 12.22807, -0.000509703, 1.628387E-07}, LiqVis = {101, -8.9556, 288.21, -0.21985, -0.000010831, 2}, VapVis = {102, 0.0000021134, 0.41436, 359.51, -2291.7, 0}, LiqK = {16, -0.19499, -11.178, -0.31182, -0.0034844, 3.5873E-07}, VapK = {102, 0.0000093247, 1.4607, 410.48, -44405, 0}, Racketparam = 0.281, UniquacR = 1.57, UniquacQ = 1.49, ChaoSeadAF = 0.0949, ChaoSeadSP = 12436.64, ChaoSeadLV = 0.061);
+end Ethylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylenecarbonate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylenecarbonate.mo
new file mode 100644
index 0000000..adafe6d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylenecarbonate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylenecarbonate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 418, name = "Ethylenecarbonate", CAS = "96-49-1", Tc = 806, Pc = 6770000, Vc = 0.193, Cc = 0.195, Tb = 521.15, Tm = 309.15, TT = 309.55, TP = 8.01004, MW = 88.0621, LVB = 0.0664942, AF = 0.442272, SP = 29660, DM = 1.5E-29, SH = -61100000.0, IGHF = -5.069E+08, GEF = -4.1E+08, AS = 260000, HFMP = 1.0E+07, HOC = -1.083E+09, LiqDen = {105, 1.5442, 0.2959, 806, 0.28857, 0}, VP = {101, 132.44, -12293, -15.875, 0.0000073572, 2}, LiqCp = {16, -57259, -17.021, 11.366, 0.0033817, -0.0000020646}, HOV = {106, 8.7297E+07, -0.075043, 3.7018, -6.1954, 2.9631}, VapCp = {16, 50075, -516.61, 12.288, 0.000013893, -2.689E-08}, LiqVis = {101, -8.7402, 1424.5, -0.45708, 0.0000005934, 2}, VapVis = {102, 8.5517E-08, 0.85448, 116.16, -3914.9, 0}, LiqK = {16, 0.00091342, -110.82, -0.51748, -0.0023793, 3.9376E-07}, VapK = {102, 0.030823, 0.34958, 3003.2, 830800, 0}, Racketparam = 0.195, UniquacR = 2.9288, UniquacQ = 2.47, ChaoSeadAF = 0.442272, ChaoSeadSP = 29660, ChaoSeadLV = 0.0664942);
+end Ethylenecarbonate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylenediamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylenediamine.mo
new file mode 100644
index 0000000..a550252
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylenediamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylenediamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 370, name = "Ethylenediamine", CAS = "107-15-3", Tc = 592.95, Pc = 6290000, Vc = 0.206, Cc = 0.337, Tb = 390.15, Tm = 281.65, TT = 284.29, TP = 677.511, MW = 60.0983, LVB = 0.0672757, AF = 0.472367, SP = 25200, DM = 6.34E-30, SH = -22600000.0, IGHF = -1.78E+07, GEF = 1.032E+08, AS = 321833, HFMP = 109700, HOC = -1.691E+09, LiqDen = {105, 0.77469, 0.20588, 592.95, 0.20098, 0}, VP = {101, 133.543, -9787.615, -16.57909, 0.0000129717, 2}, LiqCp = {16, 143860, 434.68, 4.2425, 0.021662, -0.000021123}, HOV = {106, 7.5708E+07, 1.0826, -0.65481, -0.27019, 0.25065}, VapCp = {16, 58340, -554.75, 12.205, 0.00022368, -7.8562E-08}, LiqVis = {101, -9.2076, 2247.2, -0.93509, 0.0000071501, 2}, VapVis = {102, 2.0005E-07, 0.70929, 192.67, -6383.4, 0}, LiqK = {16, 0.020715, -158.25, 0.1953, -0.004385, 0.0000010035}, VapK = {102, 0.16528, 0.18013, 3835.1, 1598900, 0}, Racketparam = 0.337, UniquacR = 2.7384, UniquacQ = 2.472, ChaoSeadAF = 0, ChaoSeadSP = 0, ChaoSeadLV = 0);
+end Ethylenediamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethyleneglycol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethyleneglycol.mo
new file mode 100644
index 0000000..f82bc3a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethyleneglycol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethyleneglycol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 54, name = "Ethyleneglycol", CAS = "107-21-1", Tc = 719, Pc = 8200000, Vc = 0.191, Cc = 0.262, Tb = 470.45, Tm = 260.15, TT = 260.15, TP = 0.21922, MW = 62.0678, LVB = 0.055908, AF = 0.506776, SP = 33840, DM = 8.04E-30, SH = -184100000.0, IGHF = -3.922E+08, GEF = -3.018E+08, AS = 304891, HFMP = 9958000, HOC = -1.0527E+09, LiqDen = {105, 1.3106, 0.25084, 720, 0.21838, 0}, VP = {101, 68.11797, -9617.267, -5.83171, -1.13705E-06, 2}, LiqCp = {16, 86990, -72.326, 9.7466, 0.0065456, -0.0000047}, HOV = {106, 7.414E+07, 0.16807, -0.19694, 1.0417, -0.61488}, VapCp = {16, 52948, -604.61, 12.115, 0.00010607, -4.9352E-08}, LiqVis = {101, -309.38, 14928, 45.49, -0.000044405, 2}, VapVis = {102, 1.2284E-07, 0.79557, 132.87, -5540.3, 0}, LiqK = {16, 0.1684, -313.75, -1.072, -0.000058054, -0.0000032443}, VapK = {102, -8962900, -0.31257, 2.5313E+09, -1.2955E+13, 0}, Racketparam = 0, UniquacR = 2.41, UniquacQ = 2.25, ChaoSeadAF = 0.48683, ChaoSeadSP = 33703.3, ChaoSeadLV = 0.0559089);
+end Ethyleneglycol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethyleneoxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethyleneoxide.mo
new file mode 100644
index 0000000..5e897ef
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethyleneoxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethyleneoxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 47, name = "Ethyleneoxide", CAS = "75-21-8", Tc = 469.15, Pc = 7190000, Vc = 0.140296, Cc = 0.25876, Tb = 283.6, Tm = 160.65, TT = 160.65, TP = 7.78791, MW = 44.0526, LVB = 0.0508328, AF = 0.197447, SP = 21050, DM = 6.3E-30, SH = -52630000.0, IGHF = -5.263E+07, GEF = -1.323E+07, AS = 242990, HFMP = 5171400, HOC = -1.218E+09, LiqDen = {105, 0.99773, 0.19368, 469.15, 0.19965, 0}, VP = {101, 69.60869, -4890.744, -7.346771, 8.198478E-06, 2}, LiqCp = {16, 81911, -50003, 534.49, -1.8654, 0.00223}, HOV = {106, 5.9285E+07, 3.2175, -7.404, 7.8553, -3.1858}, VapCp = {16, 31884.09, -715.0886, 12.13937, -0.0000867837, -5.187264E-09}, LiqVis = {101, -8.5785, 634.7, -0.32031, -8.1095E-08, 2}, VapVis = {102, 0.0000010777, 0.52994, 452.12, -16957, 0}, LiqK = {16, -0.2748, 8.1093, -0.70065, -0.00041054, -6.2588E-07}, VapK = {102, -0.00032904, 1.1711, -7027.1, 89001, 0}, Racketparam = 0, UniquacR = 1.5927, UniquacQ = 1.32, ChaoSeadAF = 0.202, ChaoSeadSP = 21584, ChaoSeadLV = 0.0497046);
+end Ethyleneoxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylformate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylformate.mo
new file mode 100644
index 0000000..59275e0
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylformate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylformate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 63, name = "Ethylformate", CAS = "109-94-4", Tc = 508.5, Pc = 4740000, Vc = 0.229, Cc = 0.257, Tb = 327.47, Tm = 193.55, TT = 193.55, TP = 18.1186, MW = 74.079, LVB = 0.08093, AF = 0.282, SP = 19070, DM = 6.44E-30, SH = 20230000.0, IGHF = -3.883E+08, GEF = -3.031E+08, AS = 328200, HFMP = 9204800, HOC = -1.50696E+09, LiqDen = {105, 0.85568, 0.22882, 508.5, 0.23792, 0}, VP = {101, 69.04518, -5678.642, -7.031396, 0.0000050057, 2}, LiqCp = {16, 115910, 228.3, 4.0783, 0.027366, -0.000029781}, HOV = {106, 5.9813E+07, 2.1931, -4.6587, 4.7089, -1.7696}, VapCp = {16, 52378, -459.08, 11.875, 0.00065506, -2.4832E-07}, LiqVis = {101, -8.9483, 848.56, -0.31567, 2.8582E-07, 2}, VapVis = {102, 6.0691E-07, 0.60378, 450.04, -20466, 0}, LiqK = {16, -0.030927, 19.999, -1.4911, -0.000052048, -0.0000024111}, VapK = {102, 381.39, 0.9159, 1.8E+09, -1.1462E+10, 0}, Racketparam = 0, UniquacR = 2.8175, UniquacQ = 2.576, ChaoSeadAF = 0.285, ChaoSeadSP = 18938.7, ChaoSeadLV = 0.0808277);
+end Ethylformate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylmercaptan.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylmercaptan.mo
new file mode 100644
index 0000000..5a445b2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylmercaptan.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylmercaptan
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 56, name = "Ethylmercaptan", CAS = "75-08-1", Tc = 499, Pc = 5490000, Vc = 0.207, Cc = 0.274, Tb = 308.15, Tm = 125.26, TT = 125.26, TP = 0.00113837, MW = 62.136, LVB = 0.07458, AF = 0.189, SP = 18250, DM = 5.27E-30, SH = -184100000.0, IGHF = -4.63E+07, GEF = -4814000, AS = 296100, HFMP = 4975000, HOC = -1.7366E+09, LiqDen = {105, 1.203, 0.25909, 499.16, 0.26567, 0}, VP = {101, 65.4773, -5020.82, -6.678317, 6.449817E-06, 2}, LiqCp = {16, 112430, -35384, 348.44, -1.1065, 0.0012231}, HOV = {106, 4.1777E+07, 0.6898, -0.36317, -0.097723, 0.16958}, VapCp = {16, 39403.72, -328.0582, 11.29594, 0.000950986, -3.249647E-07}, LiqVis = {101, -10.854, 753.55, 0.040849, -7.5884E-07, 2}, VapVis = {102, 0.0000001695, 0.75553, 151.56, -5377.8, 0}, LiqK = {16, -0.021257, 2.7237, -1.42, -0.0008779, -0.0000018277}, VapK = {102, 0.0014607, 0.7033, 1243.2, 53588, 0}, Racketparam = 0, UniquacR = 2.551747, UniquacQ = 2.3, ChaoSeadAF = 0.192074, ChaoSeadSP = 18270.4, ChaoSeadLV = 0.0746133);
+end Ethylmercaptan;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylmethyldisulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylmethyldisulfide.mo
new file mode 100644
index 0000000..2fc4c0c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylmethyldisulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylmethyldisulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 364, name = "Ethylmethyldisulfide", CAS = "20333-39-5", Tc = 628.9, Pc = 4615000, Vc = 0.312, Cc = 0.275, Tb = 407.15, Tm = 183.22, TT = 183.22, TP = 0.0416, MW = 108.226, LVB = 0.1066, AF = 0.301, SP = 18730, DM = 8.25E-30, SH = -22600000.0, IGHF = -4.94E+07, GEF = 1.709E+07, AS = 381100, HFMP = 9210000, HOC = -2.65E+09, LiqDen = {105, 0.88258, 0.27523, 628.9, 0.28571, 0}, VP = {101, 96.027, -8038.4, -10.972, 0.0000070895, 2}, LiqCp = {100, 187520, -208.62, 0.55295, 0, 0}, HOV = {106, 4.8216E+07, 0.48633, -0.6279, 0.476, 0}, VapCp = {16, 84149, -628.71, 12.564, -0.0001652, 8.9754E-08}, LiqVis = {101, -74.45287, 3204.964, 10.10529, -0.0000144504, 2}, VapVis = {102, 7.0201E-08, 0.85571, 90.077, -7385.7, 0}, LiqK = {16, -0.21083, 11.426, -1.0307, 0.00012249, -0.0000010671}, VapK = {102, 0.00027958, 0.86411, 843.3, 7471.1, 0}, Racketparam = 0.275, UniquacR = 3.9004, UniquacQ = 3.276, ChaoSeadAF = 0.301, ChaoSeadSP = 18730, ChaoSeadLV = 0.1066);
+end Ethylmethyldisulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylpropyldisulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylpropyldisulfide.mo
new file mode 100644
index 0000000..c8cbe38
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethylpropyldisulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethylpropyldisulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 365, name = "Ethylpropyldisulfide", CAS = "30453-31-7", Tc = 660, Pc = 3612000, Vc = 0.417, Cc = 0.274, Tb = 446.85, Tm = 165, TT = 165, TP = 0.00002, MW = 136.279, LVB = 0.1405, AF = 0.391, SP = 17840, DM = 7.69E-30, SH = -22600000.0, IGHF = -9.625E+07, GEF = 2.796E+07, AS = 460300, HFMP = 1.08E+07, HOC = -3.866E+09, LiqDen = {105, 0.65822, 0.27459, 660, 0.28571, 0}, VP = {101, 110.6, -9574.8, -12.96, 0.0000072115, 2}, LiqCp = {100, 223630, -139.83, 0.57232, 0, 0}, HOV = {106, 5.9782E+07, 0.63427, -0.74757, 0.47275, 0}, VapCp = {16, 105720, -573.79, 12.857, 0.000058344, 8.0803E-09}, LiqVis = {101, -37.87, 2334.8, 4.1564, -0.0000036099, 2}, VapVis = {102, 6.9027E-08, 0.8462, 109.98, -9618.4, 0}, LiqK = {16, -0.20064, 12.059, -1.0757, 0.00011826, -0.000000977}, VapK = {102, 0.00000124, 1.5526, -137.7, 30422, 0}, Racketparam = 0.274, UniquacR = 5.2492, UniquacQ = 4.356, ChaoSeadAF = 0.391, ChaoSeadSP = 17840, ChaoSeadLV = 0.1405);
+end Ethylpropyldisulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethyltertpentylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethyltertpentylether.mo
new file mode 100644
index 0000000..d765062
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ethyltertpentylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ethyltertpentylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 332, name = "Ethyltertpentylether", CAS = "919-94-8", Tc = 544, Pc = 2740000, Vc = 0.435, Cc = 0.273, Tb = 374.15, Tm = 190, TT = 190, TP = 0.729523, MW = 116.201, LVB = 0.152635, AF = 0.338192, SP = 14970, DM = 5.14E-30, SH = -216400000.0, IGHF = -3.324E+08, GEF = -1.094E+08, AS = 439200, HFMP = 1.2E+07, HOC = -4.32E+09, LiqDen = {105, 0.65888, 0.27797, 544, 0.29227, 0}, VP = {101, 47.12433, -5006.625, -3.892102, 0.0000058438, 2}, LiqCp = {16, -79604, -398.25, 15.392, -0.0067505, 0.0000071337}, HOV = {106, 6.448049E+07, 2.475757, -5.830862, 5.958177, -2.135539}, VapCp = {16, 119820, -647.93, 13.251, -0.00004893, 2.8951E-09}, LiqVis = {101, -11.435, 1134.3, -0.0102, 2.552E-08, 2}, VapVis = {102, 1.2029E-07, 0.7552, 122.76, -2833.2, 0}, LiqK = {16, -0.13805, 13.252, -1.2618, -0.00018101, -0.0000010967}, VapK = {102, 0.00013295, 0.98504, 431.52, 34060, 0}, Racketparam = 0.273, UniquacR = 5.4166, UniquacQ = 4.712, ChaoSeadAF = 0.338192, ChaoSeadSP = 14970, ChaoSeadLV = 0.152635);
+end Ethyltertpentylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/FivemethylTwohexanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/FivemethylTwohexanone.mo
new file mode 100644
index 0000000..70c5587
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/FivemethylTwohexanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model FivemethylTwohexanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 314, name = "FivemethylTwohexanone", CAS = "110-12-3", Tc = 601, Pc = 2970000, Vc = 0.421, Cc = 0.25, Tb = 417.95, Tm = 199.25, TT = 199.25, TP = 0.0241997, MW = 114.185, LVB = 0.141298, AF = 0.434398, SP = 17740, DM = 0, SH = -1209000000.0, IGHF = -3.04E+08, GEF = -1.22E+08, AS = 446000, HFMP = 0, HOC = -4.1E+09, LiqDen = {105, 0.59436, 0.2568, 601, 0.28571, 0}, VP = {101, 114.12, -9180, -13.613, 0.0000087656, 2}, LiqCp = {16, 125240, 163.14, 9.1111, 0.0074883, -0.0000035144}, HOV = {106, 8.005371E+07, 1.17745, -0.708374, -0.221424, 0.184955}, VapCp = {16, 96832, -530.6, 12.878, 0.00028483, -1.1552E-07}, LiqVis = {101, -15.292, 1388.7, 0.61336, -0.0000015372, 2}, VapVis = {102, 3.5504E-07, 0.6089, 292.03, -90.104, 0}, LiqK = {16, -0.18233, 17.124, -1.0595, -0.000040298, -9.9547E-07}, VapK = {102, 1467.4, 1.0438, 1.713E+10, -1.5385E+11, 0}, Racketparam = 0.25, UniquacR = 5.2703, UniquacQ = 4.492, ChaoSeadAF = 0.434398, ChaoSeadSP = 17740, ChaoSeadLV = 0.141298);
+end FivemethylTwohexanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fivemethylnonane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fivemethylnonane.mo
new file mode 100644
index 0000000..562f228
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fivemethylnonane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fivemethylnonane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 256, name = "Fivemethylnonane", CAS = "15869-85-9", Tc = 609.6, Pc = 2140000, Vc = 0.5904, Cc = 0.248, Tb = 438.25, Tm = 186, TT = 185.45, TP = 0.000438465, MW = 142.282, LVB = 0.195298, AF = 0.456177, SP = 15440, DM = 0, SH = -1209000000.0, IGHF = -2.5472E+08, GEF = 3.06E+07, AS = 536500, HFMP = 1.66E+07, HOC = -6.291E+09, LiqDen = {105, 0.41463, 0.2529, 610.01, 0.28051, 0}, VP = {101, 215.6392, -13712.31, -29.15861, 0.0000236309, 2}, LiqCp = {16, 230160, -61.977, 9.1603, 0.0096645, -0.0000061376}, HOV = {106, 6.5588E+07, 0.029762, 1.6061, -2.0417, 0.80324}, VapCp = {16, 131700, -594.98, 13.529, -0.000014234, -5.0987E-09}, LiqVis = {101, -13.838, 1303.8, 0.41828, -8.7942E-07, 2}, VapVis = {102, 5.7631E-07, 0.50736, 283.05, -1279.5, 0}, LiqK = {16, -0.183, 10.49, -1.0698, -0.00021616, -6.8913E-07}, VapK = {102, 0.00003614, 1.1239, -159.13, 172680, 0}, Racketparam = 0.248, UniquacR = 7.196599, UniquacQ = 6.012, ChaoSeadAF = 0.456177, ChaoSeadSP = 15440, ChaoSeadLV = 0.195298);
+end Fivemethylnonane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fluoranthene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fluoranthene.mo
new file mode 100644
index 0000000..336cf45
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fluoranthene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fluoranthene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 185, name = "Fluoranthene", CAS = "206-44-0", Tc = 905, Pc = 2610000, Vc = 0.655, Cc = 0.227, Tb = 655.95, Tm = 383.33, TT = 383.33, TP = 15.7016, MW = 202.251, LVB = 0.184362, AF = 0.587526, SP = 19290, DM = 7.6E-31, SH = -168070000.0, IGHF = 2.889E+08, GEF = 3.862E+08, AS = 418500, HFMP = 1.873E+07, HOC = -7.695E+09, LiqDen = {105, 0.34656, 0.22699, 905, 0.28508, 0}, VP = {101, 96.11781, -12362.08, -10.3511, 0.0000032319, 2}, LiqCp = {16, 241580, 1296.9, 0.78013, 0.023496, -0.000011773}, HOV = {106, 1.442678E+08, 2.403711, -3.376173, 1.404001, 0.0327511}, VapCp = {16, 59938, -461.32, 13.513, -0.00005781, -5.6701E-09}, LiqVis = {101, -68.502, 5208.9, 8.4007, -0.0000042979, 2}, VapVis = {102, 0.0000010875, 0.41309, 444.51, -25.424, 0}, LiqK = {16, -0.045864, -83.397, -0.96049, -0.0013219, -5.1355E-10}, VapK = {102, 0.00011776, 0.94788, 660.84, 38292, 0}, Racketparam = 0.239005, UniquacR = 7.187871, UniquacQ = 4.504, ChaoSeadAF = 0.5, ChaoSeadSP = 19277.2, ChaoSeadLV = 0.184693);
+end Fluoranthene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fluorene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fluorene.mo
new file mode 100644
index 0000000..94999f5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fluorene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fluorene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 180, name = "Fluorene", CAS = "86-73-7", Tc = 826, Pc = 3000000, Vc = 0.524, Cc = 0.229, Tb = 570.44, Tm = 387.94, TT = 387.94, TP = 281.665, MW = 166.219, LVB = 0.15327, AF = 0.404163, SP = 19820, DM = 8.3E-31, SH = -168070000.0, IGHF = 1.869E+08, GEF = 2.901E+08, AS = 381500, HFMP = 1.9578E+07, HOC = -6.4251E+09, LiqDen = {105, 0.43683, 0.229, 826, 0.28571, 0}, VP = {101, 141.8746, -13833.84, -17.04805, 0.0000063782, 2}, LiqCp = {16, 172320, 813.11, 3.2969, 0.023275, -0.000018014}, HOV = {106, 9.581E+07, 1.317, -1.4739, -0.0034969, 0.61586}, VapCp = {16, 57825, -560.42, 13.575, -0.00027161, 7.5804E-08}, LiqVis = {101, -33.053, 2454.9, 3.4575, -0.0000042581, 2}, VapVis = {102, 5.7084E-07, 0.56204, 373.69, -49.196, 0}, LiqK = {16, -0.013258, -130.68, -0.68476, -0.0022566, 3.0043E-07}, VapK = {102, 0.00017437, 0.9152, 500.25, 62613, 0}, Racketparam = 0, UniquacR = 6.174687, UniquacQ = 4.076, ChaoSeadAF = 0.349259, ChaoSeadSP = 21645.7, ChaoSeadLV = 0.128237);
+end Fluorene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fluorine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fluorine.mo
new file mode 100644
index 0000000..1f64d1a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fluorine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fluorine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 198, name = "Fluorine", CAS = "7782-41-4", Tc = 144.3, Pc = 5215000, Vc = 0.0662, Cc = 0.288, Tb = 84.95, Tm = 53.53, TT = 53.48, TP = 252, MW = 37.997, LVB = 0.02516, AF = 0.051, SP = 15210, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 202690, HFMP = 510360, HOC = 0, LiqDen = {105, 2.7003, 0.23171, 144.42, 0.21541, 0}, VP = {101, 19.18299, -840.6862, 0.560464, -0.0000352006, 2}, LiqCp = {16, 56031, -8382.1, 267.49, -2.7228, 0.0096889}, HOV = {106, 2.7497E+07, 7.2112, -17.699, 17.895, -6.7781}, VapCp = {16, 29021.05, -721.5995, 10.44015, -0.00105401, 3.331903E-07}, LiqVis = {101, 9.2895, -86.903, -3.7445, 0.0000058477, 2}, VapVis = {102, 7.0875E-07, 0.64956, 73.747, -637.02, 0}, LiqK = {16, -0.15422, 9.0003, -1.0608, -0.0018487, -0.00001682}, VapK = {102, 0.00012664, 0.93229, 1.6645, 205.53, 0}, Racketparam = 0.288, UniquacR = 0.75, UniquacQ = 0.88, ChaoSeadAF = 0.051, ChaoSeadSP = 15210, ChaoSeadLV = 0.02516);
+end Fluorine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Formaldehyde.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Formaldehyde.mo
new file mode 100644
index 0000000..f0be735
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Formaldehyde.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Formaldehyde
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 28, name = "Formaldehyde", CAS = "50-00-0", Tc = 408, Pc = 6590000, Vc = 0.115, Cc = 0.223, Tb = 254.05, Tm = 181.15, TT = 181.15, TP = 887, MW = 30.026, LVB = 0.04097, AF = 0.281846, SP = 21190, DM = 7.77E-30, SH = -108600000.0, IGHF = -1.086E+08, GEF = -1.026E+08, AS = 218660, HFMP = 7050000, HOC = -5.268E+08, LiqDen = {105, 1.9413, 0.22308, 408, 0.28569, 0}, VP = {101, 62.07923, -4207.675, -6.202287, 5.521233E-06, 2}, LiqCp = {16, 62716, -69.453, 3.2871, 0.047782, -0.0001008}, HOV = {106, 3.0902E+07, 0.29722, -0.051281, 0.13234, -0.080686}, VapCp = {16, 33216.06, -1212.62, 11.96032, -0.000635943, 1.549232E-07}, LiqVis = {101, -11.303, 753.06, -0.013733, -4.6837E-08, 2}, VapVis = {102, 8.1997E-07, 0.57256, 258.17, -5091, 0}, LiqK = {16, 0.10999, -161.62, 0.83463, -0.01142, 0.0000060772}, VapK = {102, 44.841, -0.71285, -3466.2, 5262100, 0}, Racketparam = 0, UniquacR = 0.9183, UniquacQ = 0.78, ChaoSeadAF = 0.253, ChaoSeadSP = 23824.8, ChaoSeadLV = 0.0369129);
+end Formaldehyde;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourethylmxylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourethylmxylene.mo
new file mode 100644
index 0000000..0cbf032
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourethylmxylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fourethylmxylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 302, name = "Fourethylmxylene", CAS = "874-41-9", Tc = 665, Pc = 2850000, Vc = 0.456, Cc = 0.251, Tb = 461.59, Tm = 210, TT = 210.27, TP = 0.0181496, MW = 134.218, LVB = 0.153864, AF = 0.409, SP = 17650, DM = 0, SH = -1209000000.0, IGHF = -3.08E+07, GEF = 1.286E+08, AS = 436600, HFMP = 1.293E+07, HOC = -5.544E+09, LiqDen = {105, 0.53184, 0.25635, 665, 0.29535, 0}, VP = {101, 109.6, -9849.7, -12.73, 0.0000063582, 2}, LiqCp = {16, 95699, -84.431, 11.066, 0.0051032, -0.0000041785}, HOV = {106, 6.586476E+07, 0.958711, -1.952194, 2.240006, -0.865941}, VapCp = {16, 90693, -533.27, 13.139, 0.00014143, -6.0863E-08}, LiqVis = {101, -12.665, 1419.5, 0.18354, -0.0000003451, 2}, VapVis = {102, 0.0000037216, 0.29591, 752.65, -7.7443, 0}, LiqK = {16, -0.081171, 5.0587, -1.4195, -0.00031748, -9.1756E-07}, VapK = {102, 0.000083547, 1.0482, 520.64, 45100, 0}, Racketparam = 0.251, UniquacR = 6.0672, UniquacQ = 4.644, ChaoSeadAF = 0.409, ChaoSeadSP = 17650, ChaoSeadLV = 0.153864);
+end Fourethylmxylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourethyloxylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourethyloxylene.mo
new file mode 100644
index 0000000..d8e670d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourethyloxylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fourethyloxylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 303, name = "Fourethyloxylene", CAS = "934-80-5", Tc = 666, Pc = 2890000, Vc = 0.452, Cc = 0.254, Tb = 462.93, Tm = 206, TT = 206.22, TP = 0.00343448, MW = 134.218, LVB = 0.154172, AF = 0.42, SP = 17990, DM = 0, SH = -1209000000.0, IGHF = -3.209E+07, GEF = 1.274E+08, AS = 436600, HFMP = 1.205E+07, HOC = -5.542E+09, LiqDen = {105, 0.54664, 0.26088, 666, 0.29186, 0}, VP = {101, 96.694, -9142.9, -10.852, 0.0000055519, 2}, LiqCp = {16, 89767, -77.889, 11.113, 0.0049399, -0.0000039958}, HOV = {106, 4.3714E+07, -2.7554, 9.4578, -11.023, 4.6307}, VapCp = {16, 90693, -533.27, 13.139, 0.00014143, -6.0863E-08}, LiqVis = {101, -9.1159, 1410.6, -0.43411, 7.8135E-07, 2}, VapVis = {102, 5.8567E-07, 0.52279, 312.52, -1851, 0}, LiqK = {16, -0.061613, 4.0176, -1.4936, -0.00037218, -9.9721E-07}, VapK = {102, 0.000083697, 1.0475, 520.73, 45665, 0}, Racketparam = 0.254, UniquacR = 6.0672, UniquacQ = 4.644, ChaoSeadAF = 0.42, ChaoSeadSP = 17990, ChaoSeadLV = 0.154172);
+end Fourethyloxylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourheptanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourheptanone.mo
new file mode 100644
index 0000000..a6318e7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourheptanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fourheptanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 309, name = "Fourheptanone", CAS = "123-19-3", Tc = 595, Pc = 2920000, Vc = 0.421, Cc = 0.253, Tb = 417.15, Tm = 240.65, TT = 240.65, TP = 7.95766, MW = 114.185, LVB = 0.140625, AF = 0.471409, SP = 17410, DM = 8.34E-30, SH = -1209000000.0, IGHF = -3.01E+08, GEF = -1.196E+08, AS = 448600, HFMP = 1.86E+07, HOC = -4.09E+09, LiqDen = {105, 0.78297, 0.29215, 595, 0.33209, 0}, VP = {101, 121.5579, -9310.284, -14.85267, 0.000010781, 2}, LiqCp = {16, 209750, 222.65, 6.403, 0.014092, -0.0000084677}, HOV = {106, 6.630562E+07, 0.51436, 0.600897, -1.414428, 0.688564}, VapCp = {16, 121670, -659.01, 13.093, 0.000016432, -4.1637E-08}, LiqVis = {101, -29.013, 1989.1, 2.6786, -0.0000019943, 2}, VapVis = {102, 1.5516E-07, 0.71327, 190.48, -6907.5, 0}, LiqK = {16, -0.084176, -5.3333, -1.1753, -0.00094427, -3.0728E-07}, VapK = {102, 2007.9, 1.0403, 2.325E+10, -1.556E+11, 0}, Racketparam = 0.253, UniquacR = 5.2711, UniquacQ = 4.496, ChaoSeadAF = 0.411976, ChaoSeadSP = 17410, ChaoSeadLV = 0.140625);
+end Fourheptanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/FourmethylcisTwopentene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/FourmethylcisTwopentene.mo
new file mode 100644
index 0000000..4e0964f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/FourmethylcisTwopentene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model FourmethylcisTwopentene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 263, name = "FourmethylcisTwopentene", CAS = "691-38-3", Tc = 499, Pc = 3220000, Vc = 0.346, Cc = 0.269, Tb = 329.53, Tm = 138.72, TT = 138.3, TP = 0.00215772, MW = 84.1595, LVB = 0.126648, AF = 0.244178, SP = 14610, DM = 7.18E-31, SH = -1209000000.0, IGHF = -5.03335E+07, GEF = 7.69856E+07, AS = 373338, HFMP = 7363840, HOC = -3.72502E+09, LiqDen = {105, 0.77793, 0.27017, 499, 0.2861, 0}, VP = {101, 83.573, -5993.9, -9.4501, 0.0000085686, 2}, LiqCp = {16, -59803, -16.203, 11.773, 0.0034333, -0.0000037581}, HOV = {106, 5.4227E+07, 1.5628, -2.6171, 2.4298, -0.92758}, VapCp = {16, 101130, -861.95, 13.463, -0.00060529, 2.0212E-07}, LiqVis = {101, -11.752, 820.42, 0.14056, -7.3435E-07, 2}, VapVis = {102, 6.3021E-07, 0.52941, 268.94, 16.597, 0}, LiqK = {16, -0.050868, 4.0553, -1.554, -0.00045968, -0.000001981}, VapK = {102, 0.000052516, 1.0978, -60.883, 128130, 0}, Racketparam = 0.269, UniquacR = 4.2669, UniquacQ = 3.639, ChaoSeadAF = 0.244178, ChaoSeadSP = 14610, ChaoSeadLV = 0.126648);
+end FourmethylcisTwopentene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourmethylheptane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourmethylheptane.mo
new file mode 100644
index 0000000..07a85b5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourmethylheptane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fourmethylheptane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 228, name = "Fourmethylheptane", CAS = "589-53-7", Tc = 561.7, Pc = 2540000, Vc = 0.476, Cc = 0.259, Tb = 390.86, Tm = 152.19, TT = 152.2, TP = 0.0000457034, MW = 114.231, LVB = 0.16306, AF = 0.371, SP = 15140, DM = 0, SH = -1209000000.0, IGHF = -2.1196E+08, GEF = 1.571E+07, AS = 457390, HFMP = 1.08E+07, HOC = -5.07282E+09, LiqDen = {105, 0.41247, 0.23007, 561.76, 0.23229, 0}, VP = {101, 97.33843, -7742.706, -11.25952, 7.843366E-06, 2}, LiqCp = {16, 123600, -18.717, 11.067, 0.0020327, 0.0000016218}, HOV = {106, 6.797167E+07, 1.151616, -0.835173, -0.171743, 0.314726}, VapCp = {16, 100250, -569.74, 13.266, 0.000060406, -2.5661E-08}, LiqVis = {101, -11.11, 1066.3, -0.039384, 1.7455E-07, 2}, VapVis = {102, 0.0000043616, 0.27023, 695.06, -2959.1, 0}, LiqK = {16, -0.096483, 12.321, -1.3603, -0.00031289, -0.0000012186}, VapK = {102, 0.000040274, 1.1204, -164.18, 166050, 0}, Racketparam = 0.259, UniquacR = 5.8478, UniquacQ = 4.932, ChaoSeadAF = 0.371, ChaoSeadSP = 15140, ChaoSeadLV = 0.16306);
+end Fourmethylheptane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourmethylnonane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourmethylnonane.mo
new file mode 100644
index 0000000..c2c4a1f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourmethylnonane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fourmethylnonane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 255, name = "Fourmethylnonane", CAS = "17301-94-9", Tc = 613.7, Pc = 2140000, Vc = 0.5904, Cc = 0.248, Tb = 438.85, Tm = 174.45, TT = 174.45, TP = 0.000108068, MW = 142.282, LVB = 0.195426, AF = 0.465073, SP = 15500, DM = 0, SH = -1209000000.0, IGHF = -2.547E+08, GEF = 2.89E+07, AS = 541900, HFMP = 1.52E+07, HOC = -6.291E+09, LiqDen = {105, 0.046753, 0.085687, 613.7, 0.13909, 0}, VP = {101, 143.6866, -10632.15, -18.17547, 0.0000137486, 2}, LiqCp = {16, 41953, 56.5, 11.484, 0.0029861, -0.0000006055}, HOV = {106, 6.2873E+07, 0.39496, -0.054115, 0.081779, -0.040701}, VapCp = {16, 130820, -589.61, 13.519, -0.0000013811, -1.0182E-08}, LiqVis = {101, -8.7174, 1148.5, -0.42278, 0.000000818, 2}, VapVis = {102, 5.0899E-07, 0.5228, 260.59, -971.93, 0}, LiqK = {16, -0.16198, 12.531, -1.1439, -0.00019006, -7.9079E-07}, VapK = {102, 0.000039332, 1.1131, -152.11, 174490, 0}, Racketparam = 0.248, UniquacR = 7.196599, UniquacQ = 6.012, ChaoSeadAF = 0.465073, ChaoSeadSP = 15500, ChaoSeadLV = 0.195426);
+end Fourmethylnonane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourmethyloctane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourmethyloctane.mo
new file mode 100644
index 0000000..241b4b6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Fourmethyloctane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Fourmethyloctane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 248, name = "Fourmethyloctane", CAS = "2216-34-4", Tc = 587.65, Pc = 2340000, Vc = 0.523, Cc = 0.25, Tb = 415.59, Tm = 159.95, TT = 159.95, TP = 0.0000317697, MW = 128.255, LVB = 0.179037, AF = 0.412925, SP = 15300, DM = 0, SH = -1209000000.0, IGHF = -2.336E+08, GEF = 2.17E+07, AS = 501660, HFMP = 1.6E+07, HOC = -5.68166E+09, LiqDen = {105, 0.51336, 0.26824, 587.65, 0.29075, 0}, VP = {101, 168.4912, -11138.63, -22.13486, 0.0000188399, 2}, LiqCp = {16, 71582, 100.57, 10.612, 0.0050783, -0.0000024905}, HOV = {106, 6.2916E+07, 0.7446, -0.80882, 0.80228, -0.33895}, VapCp = {16, 116790, -588.34, 13.412, 0.000015201, -1.4561E-08}, LiqVis = {101, -11.837, 1162, 0.077237, -2.6336E-07, 2}, VapVis = {102, 3.2706E-07, 0.5848, 183.92, 0.068678, 0}, LiqK = {16, -0.1663, 9.2848, -1.1068, -0.00028405, -0.0000007408}, VapK = {102, 0.000038784, 1.117, -185.06, 177130, 0}, Racketparam = 0.25, UniquacR = 6.5222, UniquacQ = 5.472, ChaoSeadAF = 0.412925, ChaoSeadSP = 15300, ChaoSeadLV = 0.179037);
+end Fourmethyloctane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/FourmethyltransTwopentene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/FourmethyltransTwopentene.mo
new file mode 100644
index 0000000..554e90b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/FourmethyltransTwopentene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model FourmethyltransTwopentene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 264, name = "FourmethyltransTwopentene", CAS = "674-76-0", Tc = 501, Pc = 3220000, Vc = 0.346, Cc = 0.267, Tb = 331.76, Tm = 132.36, TT = 132.35, TP = 0.000344783, MW = 84.1595, LVB = 0.126739, AF = 0.255237, SP = 14730, DM = 3.63E-31, SH = -1209000000.0, IGHF = -5.43501E+07, GEF = 7.43497E+07, AS = 368390, HFMP = 7154640, HOC = -3.7205E+09, LiqDen = {105, 0.77321, 0.26966, 501, 0.28578, 0}, VP = {101, 81.691, -5972.8, -9.1408, 0.0000081285, 2}, LiqCp = {16, 22279, 6.5061, 10.859, 0.0058182, -0.000006387}, HOV = {106, 5.3985E+07, 1.4966, -2.4784, 2.2857, -0.85991}, VapCp = {16, 95377, -622.83, 12.814, 0.000074545, -3.6318E-08}, LiqVis = {101, -11.038, 805.55, 0.01464, -7.2359E-08, 2}, VapVis = {102, 7.4971E-07, 0.50587, 292.11, 780.77, 0}, LiqK = {16, -0.02241, 4.5423, -1.7038, -0.00048445, -0.0000024834}, VapK = {102, 0.000062348, 1.0772, -17.479, 116240, 0}, Racketparam = 0.267, UniquacR = 4.2669, UniquacQ = 3.639, ChaoSeadAF = 0.255237, ChaoSeadSP = 14730, ChaoSeadLV = 0.126739);
+end FourmethyltransTwopentene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Furfural.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Furfural.mo
new file mode 100644
index 0000000..a38f929
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Furfural.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Furfural
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 101, name = "Furfural", CAS = "98-01-1", Tc = 670.15, Pc = 5660000, Vc = 0.252, Cc = 0.256, Tb = 434.85, Tm = 236.65, TT = 236.65, TP = 1.54565, MW = 96.0841, LVB = 0.0832248, AF = 0.367784, SP = 23610, DM = 1.2E-29, SH = -134990000.0, IGHF = -1.51E+08, GEF = -1.028E+08, AS = 333300, HFMP = 1.44E+07, HOC = -2.2564E+09, LiqDen = {105, 1.0614, 0.26706, 670.15, 0.30028, 0}, VP = {101, 25.656, -5514, -0.19573, -0.0000013402, 2}, LiqCp = {16, 122630, 404.51, 3.0587, 0.029945, -0.000031496}, HOV = {106, 6.3009E+07, 0.4784, 0.066802, -0.59102, 0.42453}, VapCp = {16, 45855, -497.61, 12.549, -0.000033724, -2.8785E-08}, LiqVis = {101, 2.6487, 910.16, -2.1754, 0.0000028413, 2}, VapVis = {102, 5.1928E-08, 0.91224, 70.285, -5476.4, 0}, LiqK = {16, 0.13228, 19058, -182.25, 0.56426, -0.00059782}, VapK = {102, 0.00022183, 0.91119, 617.18, 55137, 0}, Racketparam = 0.258287, UniquacR = 3.168, UniquacQ = 2.484, ChaoSeadAF = 0.383, ChaoSeadSP = 23643.5, ChaoSeadLV = 0.0831649);
+end Furfural;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/GeneralProperties.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/GeneralProperties.mo
new file mode 100644
index 0000000..263dd1a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/GeneralProperties.mo
@@ -0,0 +1,42 @@
+within Simulator.Files.ChemsepDatabase;
+
+model GeneralProperties "Model to declare the variables for thermophysical properties of the compounds in the database"
+    extends Modelica.Icons.Record;
+  parameter Integer SN "Serial Number";
+  parameter String name "Compound Name";
+  parameter String CAS "CAS Number";
+  parameter Real Tc (unit="K") "Critical Temperature";
+  parameter Real Pc (unit="Pa") "Critical Pressure";
+  parameter Real Vc (unit="m3/kmol") "Critical Volume";
+  parameter Real Cc (unit="-") "Critical Compressibility Factor";
+  parameter Real Tb (unit="K") "Boiling Point Temperature";
+  parameter Real Tm (unit="K") "Melting Point Temperature";
+  parameter Real TT (unit="K") "Triple Point Temperature";
+  parameter Real TP (unit="Pa") "Triple Point Pressure";
+  parameter Real MW (unit="-") "Molecular Weight";
+  parameter Real LVB (unit="m3/kmol") "Liquid Molar Volume at Normal Boiling Point";
+  parameter Real AF (unit="-") "Acentric Factor";
+  parameter Real SP (unit="J0.5/m1.5") "Solubility Parameter";
+  parameter Real DM (unit="Coulomb.m") "Dipole Moment";
+  parameter Real SH (unit="J/kmol") "Absolute Enthalpy";
+  parameter Real IGHF (unit="J/kmol") "Standard Heat of Formation";
+  parameter Real GEF (unit="J/kmol") "Gibbs Energy of Formation";
+  parameter Real AS (unit="J/kmol/K") "Absolute Entropy";
+  parameter Real HFMP (unit="J/kmol") "Heat of Fusion at Melting Point";
+  parameter Real HOC (unit="J/kmol") "Heat of Combustion";
+  parameter Real UniquacR (unit="-") "UNIQUAC r";
+  parameter Real UniquacQ (unit="-") "UNIQUAC q";
+  parameter Real LiqDen[6] (unit="kmol/m3") "Liquid Density Coefficients";
+  parameter Real VP[6] (unit="Pa") "Vapor Pressure Coefficients";
+  parameter Real LiqCp[6] (unit="J/kmol/K") "Liquid Heat Capacity Coefficients";
+  parameter Real HOV[6] (unit="J/kmol") "Heat of Vaporization Coefficients";
+  parameter Real VapCp[6] (unit="J/kmol/K") "Ideal Gas Heat Capacity Coefficients";
+  parameter Real LiqVis[6] (unit="Pa s") "Liquid Viscosity Coefficients";
+  parameter Real VapVis[6] (unit="Pa s") "Vapor Viscosity Coefficients";
+  parameter Real LiqK[6] (unit="W/m/K") "Liquid Thermal Conductivity Coefficients";
+  parameter Real VapK[6] (unit="W/m/K") "Vapor Thermal Conductivity Coefficients";
+  parameter Real Racketparam (unit="-") "Racket Parameter";
+  parameter Real ChaoSeadAF (unit="-") "Chao-Seader Accentric Factor";
+  parameter Real ChaoSeadSP (unit="J0.5/m1.5") "Shao-Seader Solubility Parameter";
+  parameter Real ChaoSeadLV (unit="m3/kmol") "Chao-Seader Liquid Volume";
+end GeneralProperties;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Glycerol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Glycerol.mo
new file mode 100644
index 0000000..3db0b42
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Glycerol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Glycerol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 429, name = "Glycerol", CAS = "56-81-5", Tc = 725.15, Pc = 6660000, Vc = 0.264, Cc = 0.28, Tb = 563.15, Tm = 291.15, TT = 291.33, TP = 0.00952225, MW = 92.0938, LVB = 0.0732027, AF = 1.544133, SP = 34540, DM = 1.4E-29, SH = 28500000.0, IGHF = -5.828E+08, GEF = -4.471E+08, AS = 396000, HFMP = 1.831E+07, HOC = -1.477E+09, LiqDen = {105, 0.933664, 0.246209, 850, 0.220672, 0}, VP = {101, 99.57469, -13673.87, -10.09699, 1.227718E-11, 2}, LiqCp = {16, 115.6361, -33.33621, 11.80006, 0.00238285, -0.0000010098}, HOV = {106, 1.1E+08, 1, -2.5, 3.4, -1.65}, VapCp = {16, 31366.31, -311.2541, 12.31511, 0.000195602, 1.752076E-09}, LiqVis = {10, -27, -10000, 70, 0, 0}, VapVis = {16, 1.418624E-06, -375.5227, -11.1197, 0.000710923, 4.531819E-08}, LiqK = {16, 0.00821317, -13.47096, -1.285018, 0.000197192, 1.226656E-07}, VapK = {16, -0.00880104, -445.7976, -2.857337, 0.000677005, 8.722756E-08}, Racketparam = 0, UniquacR = 3.385629, UniquacQ = 3.06, ChaoSeadAF = 0, ChaoSeadSP = 0, ChaoSeadLV = 0);
+end Glycerol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/HeliumFour.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/HeliumFour.mo
new file mode 100644
index 0000000..ffb7889
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/HeliumFour.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model HeliumFour
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 197, name = "HeliumFour", CAS = "7440-59-7", Tc = 5.19, Pc = 227000, Vc = 0.0573, Cc = 0.301, Tb = 4.3, Tm = 1.763, TT = 1.763, TP = 1478.21, MW = 4.003, LVB = 0.03254, AF = -0.39, SP = 1222, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 126044, HFMP = 50000, HOC = 0, LiqDen = {105, 0.31844, 0.089499, 5.21, 0.063807, 0}, VP = {101, 8.8804, -4.8932, 2.5648, 0.0062779, 2}, LiqCp = {16, -72432, 14.864, 0.90909, 1.9106, -0.057997}, HOV = {106, 191120, 4.6881, -12.652, 12.947, -4.5859}, VapCp = {1, 20786, 0, 0, 0, 0}, LiqVis = {101, -21.436, 10.949, 5.7389, -0.11646, 2}, VapVis = {102, 3.3098E-07, 0.71183, -10.485, 126.3, 0}, LiqK = {16, -0.19278, -0.8853, -0.83633, -0.19115, 0.016867}, VapK = {102, 0.00226, 0.7305, -18.63, 440, 0}, Racketparam = 0.301, UniquacR = 0.456163, UniquacQ = 0.592, ChaoSeadAF = -0.39, ChaoSeadSP = 1222, ChaoSeadLV = 0.03254);
+end HeliumFour;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Heptanal.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Heptanal.mo
new file mode 100644
index 0000000..8117a99
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Heptanal.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Heptanal
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 322, name = "Heptanal", CAS = "111-71-7", Tc = 603, Pc = 2800000, Vc = 0.421, Cc = 0.267, Tb = 425.95, Tm = 230.15, TT = 229.8, TP = 1.44979, MW = 114.185, LVB = 0.140287, AF = 0.488466, SP = 17780, DM = 8.6E-30, SH = -1209000000.0, IGHF = -2.6401E+08, GEF = -8.653E+07, AS = 461380, HFMP = 2.359E+07, HOC = -4.136E+09, LiqDen = {105, 0.53646, 0.24452, 616.81, 0.26981, 0}, VP = {101, 108.36, -9179.6, -12.655, 0.0000073363, 2}, LiqCp = {16, 200220, 128.23, 7.474, 0.012008, -0.0000080423}, HOV = {106, 6.244116E+07, 0.224744, 0.949788, -1.500319, 0.675167}, VapCp = {16, 131660, -858.87, 13.596, -0.00041213, 8.8955E-08}, LiqVis = {101, 8.4077, 475.87, -3.0758, 0.0000053404, 2}, VapVis = {102, 1.4563E-07, 0.72362, 184.89, -7288.6, 0}, LiqK = {16, 0.02754, -55.074, -1.243, -0.0022084, -0.0000010637}, VapK = {102, 1569.2, 1.0102, 1.4874E+10, 2.7536E+11, 0}, Racketparam = 0.267, UniquacR = 5.2711, UniquacQ = 4.496, ChaoSeadAF = 0.42794, ChaoSeadSP = 17780, ChaoSeadLV = 0.140287);
+end Heptanal;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hexanal.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hexanal.mo
new file mode 100644
index 0000000..21e8fdf
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hexanal.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Hexanal
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 321, name = "Hexanal", CAS = "66-25-1", Tc = 579, Pc = 3110000, Vc = 0.369, Cc = 0.26, Tb = 401.45, Tm = 217.15, TT = 217.15, TP = 1.24729, MW = 100.159, LVB = 0.123708, AF = 0.439121, SP = 18150, DM = 8.6E-30, SH = -1209000000.0, IGHF = -2.4732E+08, GEF = -9.882E+07, AS = 422140, HFMP = 1.89E+07, HOC = -3.52E+09, LiqDen = {105, 1.3196, 0.35571, 579, 0.38551, 0}, VP = {101, 209.3738, -12430.59, -28.59364, 0.0000281667, 2}, LiqCp = {16, 175480, 98.975, 6.7267, 0.013876, -0.0000081365}, HOV = {106, 5.570251E+07, -0.000821879, 0.788181, -0.0470431, -0.460389}, VapCp = {16, 115820, -867.39, 13.422, -0.00036658, 7.4569E-08}, LiqVis = {101, -11.85, 1055.4, 0.17945, -3.4838E-07, 2}, VapVis = {102, 1.6626E-07, 0.71206, 185.2, -6483.1, 0}, LiqK = {16, 0.0039289, -19.957, -1.3588, -0.0017925, -6.0508E-07}, VapK = {102, -5919900, -0.017833, 2.2842E+09, -4.7916E+13, 0}, Racketparam = 0.26, UniquacR = 4.5967, UniquacQ = 3.956, ChaoSeadAF = 0.387184, ChaoSeadSP = 18150, ChaoSeadLV = 0.123708);
+end Hexanal;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogen.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogen.mo
new file mode 100644
index 0000000..c62806f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogen.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Hydrogen
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 13, name = "Hydrogen", CAS = "1333-74-0", Tc = 33.19, Pc = 1313000, Vc = 0.064147, Cc = 0.305, Tb = 20.39, Tm = 13.95, TT = 13.95, TP = 7220, MW = 2.01588, LVB = 0.0285681, AF = -0.215993, SP = 6648, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 130571, HFMP = 117100, HOC = -2.4182E+08, LiqDen = {105, 2.9613, 0.25981, 33.19, 0.19104, 0}, VP = {101, 13.05, -97.534, 1.0355, 0.00031816, 2}, LiqCp = {16, 14510, -1191.1, 156.51, -6.1773, 0.087907}, HOV = {106, 1534700, 3.214, -8.4567, 8.4646, -2.8057}, VapCp = {16, 3994.325, -48.69006, 10.36209, -0.000340144, 1.960333E-07}, LiqVis = {101, -32.531, 97.304, 5.9178, -0.0031563, 2}, VapVis = {102, 1.7916E-07, 0.68557, -0.51413, 132.61, 0}, LiqK = {16, -0.34238, -4.3002, -0.53814, 0.0011639, -0.00021792}, VapK = {102, 0.0026851, 0.74366, 13.289, -31.305, 0}, Racketparam = 0.3139, UniquacR = 0.4092, UniquacQ = 0.5516, ChaoSeadAF = 0, ChaoSeadSP = 6647.875, ChaoSeadLV = 0.031);
+end Hydrogen;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogenchloride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogenchloride.mo
new file mode 100644
index 0000000..87bf5d6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogenchloride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Hydrogenchloride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 10, name = "Hydrogenchloride", CAS = "7647-01-0", Tc = 324.69, Pc = 8310000, Vc = 0.081, Cc = 0.249, Tb = 188.15, Tm = 158.97, TT = 158.97, TP = 13521.9, MW = 36.461, LVB = 0.03028, AF = 0.126, SP = 12190, DM = 3.6E-30, SH = -92310000.0, IGHF = -9.231E+07, GEF = -9.53E+07, AS = 186786, HFMP = 2000000, HOC = -2.86E+07, LiqDen = {105, 2.3619, 0.23301, 324.69, 0.25076, 0}, VP = {101, 138.2562, -4825.245, -19.73669, 0.0000650759, 2}, LiqCp = {16, -53340, 265.92, 4.243, 0.058092, -0.00013923}, HOV = {106, 1.9563E+07, -0.79988, 3.8907, -4.9768, 2.2266}, VapCp = {16, 29096.99, -1271.123, 6.610209, 0.00378635, -0.0000013094}, LiqVis = {101, -196.43, 5474.4, 31.068, -0.000094243, 2}, VapVis = {102, 5.1969E-07, 0.66444, 177.83, -3965.9, 0}, LiqK = {16, -0.4993, -113.3, 0.99185, -0.0023549, -0.0000033612}, VapK = {102, 0.0017816, 0.5013, 331.03, 3750.8, 0}, Racketparam = 0, UniquacR = 1.056032, UniquacQ = 1.1, ChaoSeadAF = 0.121, ChaoSeadSP = 22003.8, ChaoSeadLV = 0.030563);
+end Hydrogenchloride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogencyanide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogencyanide.mo
new file mode 100644
index 0000000..60700e3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogencyanide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Hydrogencyanide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 27, name = "Hydrogencyanide", CAS = "74-90-8", Tc = 456.65, Pc = 5390000, Vc = 0.139, Cc = 0.197, Tb = 298.85, Tm = 259.91, TT = 259.833, TP = 18625, MW = 27.0253, LVB = 0.0397695, AF = 0.409913, SP = 24810, DM = 9.94E-30, SH = -296840000.0, IGHF = 1.35143E+08, GEF = 1.24725E+08, AS = 201719, HFMP = 8405700, HOC = -6.2329E+08, LiqDen = {105, 1.3163, 0.18425, 456.65, 0.2794, 0}, VP = {101, 42.70101, -4001.496, -3.208729, 5.620619E-06, 2}, LiqCp = {16, 70227, -10279, 42.028, 0.069085, -0.00024154}, HOV = {106, 4.5225E+07, 2.0549, -4.7432, 4.7996, -1.8366}, VapCp = {16, 29289, -482.84, 10.404, -0.000041659, 6.8553E-08}, LiqVis = {101, -12.545, 843.5, 0.21344, -0.0000012673, 2}, VapVis = {102, 1.2749E-08, 1.0633, 338.59, 155.3, 0}, LiqK = {16, 0.06901, -183.38, 0.87895, -0.0078031, 0.000002353}, VapK = {102, 0.000015837, 1.2055, -98.566, 53091, 0}, Racketparam = 0, UniquacR = 1.1951, UniquacQ = 1.2098, ChaoSeadAF = 0.409913, ChaoSeadSP = 24806, ChaoSeadLV = 0.0397695);
+end Hydrogencyanide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogeniodide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogeniodide.mo
new file mode 100644
index 0000000..1a896fd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogeniodide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Hydrogeniodide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 12, name = "Hydrogeniodide", CAS = "10034-85-2", Tc = 423.85, Pc = 8310000, Vc = 0.1219, Cc = 0.287, Tb = 237.55, Tm = 222.38, TT = 222.38, TP = 49326.4, MW = 127.912, LVB = 0.0507575, AF = 0.0380703, SP = 17120, DM = 1.5E-30, SH = 26500000.0, IGHF = 2.65E+07, GEF = 1716000, AS = 206481, HFMP = 2872100, HOC = -1.162E+08, LiqDen = {105, 0.29008, 0.10272, 423.85, 0.12802, 0}, VP = {101, 48.208, -3309.5, -4.2202, 0.0000058868, 2}, LiqCp = {16, 47228, 657.18, 2.2493, 0.031778, -0.000056365}, HOV = {106, 4.5057E+07, 2.4036, -3.4166, 1.5877, -0.0027034}, VapCp = {16, 29070.86, -1600.955, 9.445762, 0.000914155, -4.506661E-07}, LiqVis = {101, -20.449, -959.41, 4.2445, -0.000095025, 2}, VapVis = {102, 1.6146E-07, 0.8587, 45.387, -1595.3, 0}, LiqK = {16, -0.2841, 21.17, -1.299, 0.00096857, -0.0000020056}, VapK = {102, 0.000042343, 0.89806, 44.783, -39.662, 0}, Racketparam = 0, UniquacR = 1.6724, UniquacQ = 1.5928, ChaoSeadAF = 0.0380703, ChaoSeadSP = 19866.7, ChaoSeadLV = 0.0457176);
+end Hydrogeniodide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogensulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogensulfide.mo
new file mode 100644
index 0000000..c810e25
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Hydrogensulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Hydrogensulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 15, name = "Hydrogensulfide", CAS = "7783-06-4", Tc = 373.53, Pc = 8962910, Vc = 0.0985, Cc = 0.284, Tb = 212.8, Tm = 187.68, TT = 187.68, TP = 23200, MW = 34.0809, LVB = 0.0438045, AF = 0.0941677, SP = 18000, DM = 3.23E-30, SH = -20630000.0, IGHF = -2.063E+07, GEF = -3.344E+07, AS = 205600, HFMP = 2376500, HOC = -5.18E+08, LiqDen = {105, 2.3565, 0.25354, 373.53, 0.26514, 0}, VP = {101, 48.34868, -3078.428, -4.229632, 6.844234E-06, 2}, LiqCp = {16, 68743, -100800, 1016.4, -3.3645, 0.0037533}, HOV = {106, 2.7198E+07, 0.69517, -0.69951, 0.51422, -0.11694}, VapCp = {16, 33121.9, -869.6079, 9.605736, 0.00110059, -3.859399E-07}, LiqVis = {101, 7.527, 261.77, -3.1833, 0.0000078743, 2}, VapVis = {102, 3.4328E-08, 1.0455, 58.912, -13329, 0}, LiqK = {16, -0.078369, -33.634, -0.24641, -0.0025463, -0.0000049089}, VapK = {102, 1.0611E-07, 1.8773, -355.78, 45782, 0}, Racketparam = 0.285, UniquacR = 1.234, UniquacQ = 1.241, ChaoSeadAF = 0.0941677, ChaoSeadSP = 18000.2, ChaoSeadLV = 0.0358604);
+end Hydrogensulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Indane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Indane.mo
new file mode 100644
index 0000000..b9dd3bd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Indane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Indane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 162, name = "Indane", CAS = "496-11-7", Tc = 684.9, Pc = 3950000, Vc = 0.393, Cc = 0.273, Tb = 451, Tm = 221.74, TT = 221.74, TP = 0.152927, MW = 118.178, LVB = 0.12315, AF = 0.309213, SP = 19420, DM = 1.8E-30, SH = -168070000.0, IGHF = 6.07E+07, GEF = 1.668E+08, AS = 348910, HFMP = 8598000, HOC = -4.7626E+09, LiqDen = {105, 0.63627, 0.25179, 684.9, 0.29165, 0}, VP = {101, 97.02207, -8795.05, -11.00248, 6.105132E-06, 2}, LiqCp = {16, 136380, -29.478, 8.0608, 0.01305, -0.000010993}, HOV = {106, 6.2067E+07, -0.0045874, 2.0817, -3.2476, 1.6013}, VapCp = {16, 60321, -643.06, 13.337, -0.00018807, 3.6677E-08}, LiqVis = {101, -151.95, 6810.2, 21.863, -0.00002342, 2}, VapVis = {102, 0.0000002842, 0.64259, 225.95, -643.44, 0}, LiqK = {16, -0.041318, 5.7098, -1.5369, -0.00043639, -0.0000010195}, VapK = {102, 0.0089527, 0.43447, 617.91, 764370, 0}, Racketparam = 0.263427, UniquacR = 4.66381, UniquacQ = 3.108, ChaoSeadAF = 0.305, ChaoSeadSP = 19405.1, ChaoSeadLV = 0.123128);
+end Indane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Indene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Indene.mo
new file mode 100644
index 0000000..9f56200
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Indene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Indene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 161, name = "Indene", CAS = "95-13-6", Tc = 687, Pc = 3820000, Vc = 0.368, Cc = 0.246, Tb = 455.77, Tm = 271.7, TT = 271.7, TP = 17.0209, MW = 116.16, LVB = 0.116856, AF = 0.333766, SP = 20310, DM = 2.23E-30, SH = -168070000.0, IGHF = 1.6328E+08, GEF = 2.3396E+08, AS = 336870, HFMP = 1.02E+07, HOC = -4.61948E+09, LiqDen = {105, 0.68574, 0.25341, 687, 0.30914, 0}, VP = {101, 198.3126, -13212.05, -26.47637, 0.0000206314, 2}, LiqCp = {16, 87661, -18.633, 10.258, 0.0056195, -0.0000040934}, HOV = {106, 1.127174E+08, 2.195635, -2.278889, 0.782692, -0.231351}, VapCp = {16, 54598, -572.63, 13.077, -0.000062304, -1.4084E-09}, LiqVis = {101, -136.89, 6165.4, 19.669, -0.000025488, 2}, VapVis = {102, 8.1278E-07, 0.4938, 370.54, -3708.9, 0}, LiqK = {16, -0.0034145, -80.459, -0.91571, -0.0024408, 2.3991E-07}, VapK = {102, 0.000075165, 1.055, 558.89, 35355, 0}, Racketparam = 0.261272, UniquacR = 4.431773, UniquacQ = 2.892, ChaoSeadAF = 0.262, ChaoSeadSP = 20467.4, ChaoSeadLV = 0.116856);
+end Indene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Iodobenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Iodobenzene.mo
new file mode 100644
index 0000000..7e08ab6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Iodobenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Iodobenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 123, name = "Iodobenzene", CAS = "591-50-4", Tc = 721.15, Pc = 4519100, Vc = 0.351, Cc = 0.265, Tb = 461.6, Tm = 241.83, TT = 241.83, TP = 1.17521, MW = 204.008, LVB = 0.111976, AF = 0.246574, SP = 20450, DM = 5.67E-30, SH = -168070000.0, IGHF = 1.649E+08, GEF = 1.902E+08, AS = 334100, HFMP = 9749000, HOC = -3.05E+09, LiqDen = {105, 0.7521, 0.26381, 721.15, 0.2895, 0}, VP = {101, 79.186, -8185.3, -8.2636, 0.0000035963, 2}, LiqCp = {16, 139830, 578.69, 1.6453, 0.031278, -0.000034279}, HOV = {106, 6.148821E+07, 0.433906, -0.0102943, -0.0130647, -0.0329532}, VapCp = {16, 63442, -692.72, 13.003, -0.00048297, 1.3499E-07}, LiqVis = {101, -57.177, 3157.8, 7.1529, -0.0000070913, 2}, VapVis = {102, 2.1908E-07, 0.74366, 231.22, -43.688, 0}, LiqK = {16, 0.077923, 1284.8, -17.082, 0.050362, -0.00006779}, VapK = {102, 0.00026878, 0.78911, 373.97, 187720, 0}, Racketparam = 0, UniquacR = 4.2857, UniquacQ = 3.112, ChaoSeadAF = 0.246574, ChaoSeadSP = 20367.4, ChaoSeadLV = 0.111976);
+end Iodobenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutane.mo
new file mode 100644
index 0000000..d21f9ec
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isobutane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 93, name = "Isobutane", CAS = "75-28-5", Tc = 407.85, Pc = 3640000, Vc = 0.2627, Cc = 0.278, Tb = 261.34, Tm = 113.54, TT = 113.54, TP = 0.0120622, MW = 58.123, LVB = 0.10436, AF = 0.186, SP = 12560, DM = 4.4E-31, SH = -134990000.0, IGHF = -1.3499E+08, GEF = -2.144E+07, AS = 295500, HFMP = 4540000, HOC = -2.64812E+09, LiqDen = {105, 0.89934, 0.25371, 407.85, 0.25125, 0}, VP = {101, 70.58866, -4298.161, -7.798635, 0.0000116, 2}, LiqCp = {16, 89466, -323.61, 12.827, -0.010476, 0.000025037}, HOV = {106, 3.4869E+07, 0.64449, -0.15424, -0.28822, 0.20982}, VapCp = {16, 39746.03, -371.573, 12.02593, 0.000755039, -2.59608E-07}, LiqVis = {101, -39.10125, 1315.145, 4.876982, -0.0000203993, 2}, VapVis = {102, 3.951E-08, 0.90975, -52.076, 8625.4, 0}, LiqK = {16, 0.029586, 56.323, -2.8746, 0.0051627, -0.000017826}, VapK = {102, 0.091178, 0.18264, 626.56, 1124600, 0}, Racketparam = 0.275, UniquacR = 3.1502, UniquacQ = 2.772, ChaoSeadAF = 0.1825, ChaoSeadSP = 13766.21, ChaoSeadLV = 0.1055);
+end Isobutane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutene.mo
new file mode 100644
index 0000000..5205512
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isobutene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 81, name = "Isobutene", CAS = "115-11-7", Tc = 417.9, Pc = 4000000, Vc = 0.2388, Cc = 0.275, Tb = 266.24, Tm = 132.81, TT = 132.81, TP = 0.644929, MW = 56.108, LVB = 0.09524, AF = 0.2, SP = 13660, DM = 1.67E-30, SH = -17100000.0, IGHF = -1.71E+07, GEF = 5.808E+07, AS = 293090, HFMP = 5931200, HOC = -2.5242E+09, LiqDen = {105, 1.01, 0.25611, 417.9, 0.2642, 0}, VP = {101, 47.13879, -3682.162, -3.952514, 4.044185E-06, 2}, LiqCp = {16, 95317, -68.58, 9.3268, 0.0023434, 0.0000076824}, HOV = {106, 3.916E+07, 1.1638, -1.4033, 0.81203, -0.13521}, VapCp = {16, 49784, -472.84, 12.012, 0.00052863, -1.7772E-07}, LiqVis = {101, -12.717, 644.93, 0.3696, -0.0000023983, 2}, VapVis = {102, 0.0000028839, 0.33897, 365.04, 17752, 0}, LiqK = {16, 0.061493, 33.335, -2.4686, 0.0041425, -0.000023609}, VapK = {102, -418.21, 0.91306, -1.5105E+09, 3.1789E+10, 0}, Racketparam = 0.2727, UniquacR = 2.9195, UniquacQ = 2.684, ChaoSeadAF = 0.1951, ChaoSeadSP = 13659.3, ChaoSeadLV = 0.0953727);
+end Isobutene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutylacetate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutylacetate.mo
new file mode 100644
index 0000000..850f478
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutylacetate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isobutylacetate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 337, name = "Isobutylacetate", CAS = "110-19-0", Tc = 561, Pc = 3160000, Vc = 0.413, Cc = 0.266, Tb = 389.72, Tm = 174.3, TT = 174.3, TP = 0.00622415, MW = 116.16, LVB = 0.13387, AF = 0.456, SP = 17050, DM = 6.24E-30, SH = -216400000.0, IGHF = -4.93E+08, GEF = -3.222E+08, AS = 441000, HFMP = 1.24E+07, HOC = -3.319E+09, LiqDen = {105, 0.40843, 0.20784, 561, 0.21394, 0}, VP = {101, 28.45261, -5051.537, -0.615949, -1.95606E-06, 2}, LiqCp = {16, 161610, 660.76, 3.3098, 0.024476, -0.000019195}, HOV = {106, 6.408651E+07, 1.313221, -1.992233, 1.203843, -0.0654865}, VapCp = {16, 100140, -654.65, 13.176, -0.00017464, 3.2068E-08}, LiqVis = {101, -7.1351, 566.94, -0.24427, -0.0000078548, 2}, VapVis = {102, 1.0879E-07, 0.78101, 111.13, 1059.5, 0}, LiqK = {16, 0.070874, 405.28, -7.1892, 0.020474, -0.000033831}, VapK = {102, -0.0010112, 0.95292, -6813.9, 270410, 0}, Racketparam = 0.266, UniquacR = 4.8266, UniquacQ = 4.192, ChaoSeadAF = 0.456, ChaoSeadSP = 17050, ChaoSeadLV = 0.13387);
+end Isobutylacetate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutylbenzene.mo
new file mode 100644
index 0000000..64dc9b6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isobutylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 288, name = "Isobutylbenzene", CAS = "538-93-2", Tc = 650, Pc = 3050000, Vc = 0.48, Cc = 0.271, Tb = 445.9, Tm = 221.7, TT = 221.7, TP = 0.289087, MW = 134.221, LVB = 0.15808, AF = 0.383, SP = 16860, DM = 1.5E-30, SH = -1209000000.0, IGHF = -2.054E+07, GEF = 1.388E+08, AS = 439700, HFMP = 1.25E+07, HOC = -5.56974E+09, LiqDen = {105, 0.54967, 0.26271, 650, 0.30807, 0}, VP = {101, 97.24209, -8752.864, -11.04244, 6.424651E-06, 2}, LiqCp = {16, 116150, -36.608, 10.189, 0.0074074, -0.0000060747}, HOV = {106, 6.0838E+07, 0.30052, 0.25612, -0.19969, -0.0011249}, VapCp = {16, 83364, -556.41, 13.277, 0.000016037, -2.0047E-08}, LiqVis = {101, -12.546, 1392.5, 0.17362, -2.3672E-07, 2}, VapVis = {102, 3.8764E-07, 0.58977, 249.51, 1034.4, 0}, LiqK = {16, -0.033263, -23.962, -1.3695, -0.001338, -2.5251E-07}, VapK = {102, 0.000022162, 1.2141, 174.06, 50162, 0}, Racketparam = 0.271, UniquacR = 5.9452, UniquacQ = 4.584, ChaoSeadAF = 0.383, ChaoSeadSP = 16860, ChaoSeadLV = 0.15808);
+end Isobutylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutylmercaptan.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutylmercaptan.mo
new file mode 100644
index 0000000..16d2964
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isobutylmercaptan.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isobutylmercaptan
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 351, name = "Isobutylmercaptan", CAS = "513-44-0", Tc = 557, Pc = 3900000, Vc = 0.307, Cc = 0.268, Tb = 361.64, Tm = 128.31, TT = 128.3, TP = 4.75023E-06, MW = 90.1872, LVB = 0.108751, AF = 0.25, SP = 17240, DM = 5.1E-30, SH = -22600000.0, IGHF = -9.694E+07, GEF = 6100000, AS = 362840, HFMP = 4982300, HOC = -2.949E+09, LiqDen = {105, 0.97433, 0.28543, 557, 0.30684, 0}, VP = {101, 94.36165, -7005.04, -10.97315, 8.971409E-06, 2}, LiqCp = {16, 113680, 117.72, 9.1822, 0.0046628, 2.8876E-09}, HOV = {106, 4.696233E+07, 0.280539, 0.393074, -0.340509, 0.0160184}, VapCp = {16, 83649, -694.35, 12.849, -0.00014111, 3.1023E-08}, LiqVis = {101, -10.885, 935.58, 0.015703, -1.4837E-10, 2}, VapVis = {102, 8.5691E-08, 0.8336, 119.56, -8012, 0}, LiqK = {16, -0.03575, 3.5477, -1.4952, -0.00050318, -0.0000017356}, VapK = {102, 0.00014532, 0.98673, 557.5, 22542, 0}, Racketparam = 0.268, UniquacR = 3.9001, UniquacQ = 3.292, ChaoSeadAF = 0.25, ChaoSeadSP = 17240, ChaoSeadLV = 0.108751);
+end Isobutylmercaptan;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopentane.mo
new file mode 100644
index 0000000..fa9169c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 114, name = "Isopentane", CAS = "78-78-4", Tc = 460.39, Pc = 3381000, Vc = 0.3083, Cc = 0.272, Tb = 300.99, Tm = 113.25, TT = 113.25, TP = 0.00012144, MW = 72.15, LVB = 0.11646, AF = 0.229, SP = 13870, DM = 4.34E-31, SH = -27600000.0, IGHF = -1.537E+08, GEF = -1.405E+07, AS = 343740, HFMP = 5150000, HOC = -3.23954E+09, LiqDen = {105, 0.73194, 0.24835, 460.99, 0.25733, 0}, VP = {101, 71.04288, -4967.235, -7.674379, 8.659929E-06, 2}, LiqCp = {16, 112460, -54.259, 8.8747, 0.0083911, -0.0000034773}, HOV = {106, 4.14248E+07, 0.799342, -0.581969, 0.0834724, 0.117826}, VapCp = {16, 59843, -493.27, 12.516, 0.00046099, -1.5305E-07}, LiqVis = {101, -12.596, 889.14, 0.20472, 4.0592E-09, 2}, VapVis = {102, 6.6346E-08, 0.82828, -68.082, 25303, 0}, LiqK = {16, 0.061061, 89.857, -3.522, 0.0075154, -0.000023032}, VapK = {102, 0.00090019, 0.7738, 456.82, 231390, 0}, Racketparam = 0.2716, UniquacR = 3.82, UniquacQ = 3.31, ChaoSeadAF = 0.2104, ChaoSeadSP = 14359.41, ChaoSeadLV = 0.1174);
+end Isopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isoprene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isoprene.mo
new file mode 100644
index 0000000..8987f12
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isoprene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isoprene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 103, name = "Isoprene", CAS = "78-79-5", Tc = 484, Pc = 3850030, Vc = 0.276, Cc = 0.264, Tb = 307.205, Tm = 127.27, TT = 127.27, TP = 0.00247682, MW = 68.117, LVB = 0.100775, AF = 0.158323, SP = 15330, DM = 8.3391E-31, SH = -134990000.0, IGHF = 7.57304E+07, GEF = 1.45896E+08, AS = 315641, HFMP = 4924570, HOC = -2.98424E+09, LiqDen = {105, 0.95762, 0.265, 484, 0.28587, 0}, VP = {101, 59.64382, -4808.579, -5.723014, 3.325462E-06, 2}, LiqCp = {16, 111430, 579.88, 0.11179, 0.042713, -0.000046991}, HOV = {106, 4.7482E+07, 1.7472, -3.7153, 4.0508, -1.6134}, VapCp = {16, 46067, -400.72, 12.189, 0.00043981, -1.4681E-07}, LiqVis = {101, -8.3004, 457.06, -0.22583, -0.0000048674, 2}, VapVis = {102, 5.2484E-07, 0.58768, 291.05, -6176.5, 0}, LiqK = {16, -0.0093138, -47.475, -0.82654, -0.0037828, 8.2245E-07}, VapK = {102, 0.0010775, 0.73105, 657.17, 112780, 0}, Racketparam = 0, UniquacR = 3.36, UniquacQ = 3.01, ChaoSeadAF = 0.1642, ChaoSeadSP = 15333.3, ChaoSeadLV = 0.100775);
+end Isoprene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropanol.mo
new file mode 100644
index 0000000..7e155cd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isopropanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 68, name = "Isopropanol", CAS = "67-63-0", Tc = 508.3, Pc = 4762000, Vc = 0.22, Cc = 0.248, Tb = 355.39, Tm = 185.28, TT = 185.28, TP = 0.0363946, MW = 60.096, LVB = 0.07692, AF = 0.665, SP = 23420, DM = 5.54E-30, SH = -104680000.0, IGHF = -2.727E+08, GEF = -1.7347E+08, AS = 309200, HFMP = 5410000, HOC = -1.83E+09, LiqDen = {105, 1.1898, 0.26648, 508.3, 0.23986, 0}, VP = {101, 77.70856, -7630.115, -7.63517, 9.965114E-07, 2}, LiqCp = {16, -188260, 277.99, 9.4459, 0.010702, -0.0000091964}, HOV = {106, 1.100995E+08, 4.1961, -10.70959, 11.69444, -4.625499}, VapCp = {16, 52738, -555.28, 12.347, 0.000094247, -4.5945E-08}, LiqVis = {101, -7.4407, 2259.7, -1.1149, 0.0000002963, 2}, VapVis = {102, 1.9931E-07, 0.72329, 178.01, -15.318, 0}, LiqK = {16, -0.15761, 49.41, -1.6579, 0.0019566, -0.0000034939}, VapK = {102, 0.0028843, 0.91609, 11082, -222500, 0}, Racketparam = 0.2493, UniquacR = 2.78, UniquacQ = 2.51, ChaoSeadAF = 0.7238, ChaoSeadSP = 23408.3, ChaoSeadLV = 0.0768988);
+end Isopropanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylacetate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylacetate.mo
new file mode 100644
index 0000000..0e6bec3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylacetate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isopropylacetate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 335, name = "Isopropylacetate", CAS = "108-21-4", Tc = 516.15, Pc = 3495640, Vc = 0.343881, Cc = 0.25, Tb = 361.65, Tm = 199.75, TT = 199.75, TP = 3.8692, MW = 102.132, LVB = 0.117579, AF = 0.542817, SP = 17150, DM = 5.84E-30, SH = -216400000.0, IGHF = -4.817E+08, GEF = -3.337E+08, AS = 390200, HFMP = 8880000, HOC = -2.658E+09, LiqDen = {105, 1.7447, 0.38746, 516.15, 0.46246, 0}, VP = {101, 53.596, -5675.5, -4.5065, 0.0000012831, 2}, LiqCp = {16, 131390, -46.486, 8.1047, 0.013597, -0.000010999}, HOV = {106, 4.852874E+07, 0.139799, 0.87492, -1.379465, 0.721356}, VapCp = {16, 49388, -461.23, 12.886, -0.00010674, 6.959E-08}, LiqVis = {101, -10.895, 1115.7, -0.084451, 4.8399E-07, 2}, VapVis = {102, 3.7177E-07, 0.62086, 249.31, -266.55, 0}, LiqK = {16, -0.09612, 7.576, -1.2028, -0.00070085, -9.2097E-07}, VapK = {102, -5913400, -0.12076, 3.6992E+09, -2.5996E+13, 0}, Racketparam = 0.25, UniquacR = 4.1522, UniquacQ = 3.652, ChaoSeadAF = 0.367774, ChaoSeadSP = 17150, ChaoSeadLV = 0.117579);
+end Isopropylacetate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylbutylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylbutylether.mo
new file mode 100644
index 0000000..8ce488e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylbutylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isopropylbutylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 328, name = "Isopropylbutylether", CAS = "1860-27-1", Tc = 549, Pc = 2740000, Vc = 0.435, Cc = 0.261, Tb = 378.15, Tm = 180, TT = 180, TP = 0.0337504, MW = 116.201, LVB = 0.155791, AF = 0.403229, SP = 15260, DM = 4.24E-30, SH = -216400000.0, IGHF = -3.269E+08, GEF = -1.071E+08, AS = 450200, HFMP = 1.22E+07, HOC = -4.324E+09, LiqDen = {105, 0.62258, 0.27082, 549, 0.30735, 0}, VP = {101, 85.99635, -7315.405, -9.426402, 5.236755E-06, 2}, LiqCp = {16, 200760, -0.77126, 8.116, 0.0093067, -0.00000176}, HOV = {106, 5.2177E+07, 0.38027, 0, 0, 0}, VapCp = {16, 76973, -443.41, 12.925, 0.00032949, -1.1644E-07}, LiqVis = {101, -11.496, 1171.6, 0.0066892, -1.6659E-08, 2}, VapVis = {102, 0.000000176, 0.70157, 181.76, -5946.4, 0}, LiqK = {16, -0.10095, 17.355, -1.4146, -0.000082157, -0.0000014735}, VapK = {102, 0.00016013, 0.96562, 574.46, 18419, 0}, Racketparam = 0.261, UniquacR = 5.4173, UniquacQ = 4.632, ChaoSeadAF = 0.403229, ChaoSeadSP = 15260, ChaoSeadLV = 0.155791);
+end Isopropylbutylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylcyclopentane.mo
new file mode 100644
index 0000000..8b82146
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isopropylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 271, name = "Isopropylcyclopentane", CAS = "3875-51-2", Tc = 601, Pc = 3000000, Vc = 0.422, Cc = 0.259, Tb = 399.58, Tm = 161.79, TT = 161.79, TP = 0.000981869, MW = 112.213, LVB = 0.14527, AF = 0.302996, SP = 15940, DM = 0, SH = -1209000000.0, IGHF = -1.5071E+08, GEF = 5.305E+07, AS = 407080, HFMP = 1.041E+07, HOC = -4.8944E+09, LiqDen = {105, 0.01997, 0.048466, 601, 0.10484, 0}, VP = {101, 70.74905, -6671.509, -7.204875, 3.983606E-06, 2}, LiqCp = {16, 77318, -174.75, 11.36, 0.00375, -0.0000015189}, HOV = {106, 5.807013E+07, 1.420456, -3.256998, 3.923183, -1.686337}, VapCp = {16, 31291, -392.29, 12.88, 0.0005799, -2.3026E-07}, LiqVis = {101, -11.637, 1116.2, 0.10394, -3.9216E-07, 2}, VapVis = {102, 6.3283E-08, 0.84204, 92.528, -7299.5, 0}, LiqK = {16, -0.057129, 3.4704, -1.5201, -0.00050193, -0.0000011418}, VapK = {102, 0.10336, 0.072913, -474.32, 1330800, 0}, Racketparam = 0.259, UniquacR = 5.3936, UniquacQ = 4.312, ChaoSeadAF = 0.302996, ChaoSeadSP = 15940, ChaoSeadLV = 0.14527);
+end Isopropylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylmercaptan.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylmercaptan.mo
new file mode 100644
index 0000000..baaa757
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Isopropylmercaptan.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Isopropylmercaptan
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 428, name = "Isopropylmercaptan", CAS = "75-33-2", Tc = 517.3, Pc = 4750000, Vc = 0.254, Cc = 0.281, Tb = 325.75, Tm = 142.61, TT = 142.64, TP = 0.00973089, MW = 76.1606, LVB = 0.0941865, AF = 0.21381, SP = 16970, DM = 5.47E-30, SH = 28500000.0, IGHF = -7.59E+07, GEF = -2180000, AS = 324300, HFMP = 5736000, HOC = -2.3684E+09, LiqDen = {105, 1.093001, 0.27762, 517, 0.29781, 0}, VP = {101, 52.49398, -5018.813, -4.414151, 1.969036E-13, 2}, LiqCp = {16, -4182.09, 11.57821, 11.69322, 0.0000133303, 0.0000020152}, HOV = {106, 4.07186E+07, 0.189905, 0.420769, -0.0231137, -0.258009}, VapCp = {16, 68588.92, -673.2911, 12.50044, 1.486465E-06, -1.964897E-08}, LiqVis = {16, 0.0000158085, 630.9957, -8.670452, -0.006493, 5.676279E-06}, VapVis = {16, 2.562672E-06, -300.3637, -11.49051, 0.00155043, -4.080467E-07}, LiqK = {16, 0.019346, 8.361977, -1.76982, -0.000539416, -3.287583E-06}, VapK = {102, 0.00018367, 0.9627, 646.01, 0, 0}, Racketparam = 0, UniquacR = 3.225445, UniquacQ = 2.84, ChaoSeadAF = 0, ChaoSeadSP = 0, ChaoSeadLV = 0);
+end Isopropylmercaptan;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ketene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ketene.mo
new file mode 100644
index 0000000..b5e316d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ketene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ketene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 406, name = "Ketene", CAS = "463-51-4", Tc = 370, Pc = 5810000, Vc = 0.144, Cc = 0.272, Tb = 217.15, Tm = 122.15, TT = 122, TP = 7.19493, MW = 42.0367, LVB = 0.06374, AF = 0.125656, SP = 13820, DM = 4.74E-30, SH = -61100000.0, IGHF = -6.11E+07, GEF = -6.02914E+07, AS = 241800, HFMP = 0, HOC = -9.67759E+08, LiqDen = {105, 1.8886, 0.272, 370, 0.28571, 0}, VP = {101, 58.628, -3467, -5.9337, 0.000010248, 2}, LiqCp = {16, 41971, 267.01, 4.7755, 0.029953, -0.000037749}, HOV = {106, 4.6158E+07, 4.5264, -12.408, 14.257, -5.881}, VapCp = {16, 33110, -414.32, 10.968, 0.00041237, -1.3222E-07}, LiqVis = {101, -18.659, 731.69, 1.5497, -0.000011288, 2}, VapVis = {102, 0.000001285, 0.50552, 367.45, -2188.3, 0}, LiqK = {16, -0.007072, -11.763, -0.74777, -0.0024777, -0.0000018714}, VapK = {102, 0.000028519, 1.1477, -97.436, 37387, 0}, Racketparam = 0.272, UniquacR = 1.694792, UniquacQ = 1.610932, ChaoSeadAF = 0.125656, ChaoSeadSP = 13820, ChaoSeadLV = 0.06374);
+end Ketene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Krypton.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Krypton.mo
new file mode 100644
index 0000000..841c729
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Krypton.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Krypton
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 199, name = "Krypton", CAS = "7439-90-9", Tc = 209.4, Pc = 5500000, Vc = 0.0912, Cc = 0.288, Tb = 119.74, Tm = 115.77, TT = 115.78, TP = 73149.9, MW = 83.8, LVB = 0.03463, AF = 0.005, SP = 15280, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 163975, HFMP = 1640130, HOC = 0, LiqDen = {105, 2.5742, 0.26395, 209.4, 0.25018, 0}, VP = {101, 48.208, -1609, -4.9593, 0.0000342, 2}, LiqCp = {16, 36193, 105.13, 3.9876, 0.048456, -0.0001134}, HOV = {106, 1.7515E+07, 2.6595, -6.0031, 6.068, -2.2776}, VapCp = {16, 20754, 0, 0, 0, 0}, LiqVis = {101, -7.7422, -0.3975, -0.00054036, -9.2221E-08, 2}, VapVis = {102, 0.0000018282, 0.5384, 165.83, -1432.5, 0}, LiqK = {16, -0.22624, -10.133, -0.77044, -0.0023081, -0.0000013009}, VapK = {102, 0.00075369, 0.52925, 198.58, -4150.2, 0}, Racketparam = 0.288, UniquacR = 1.12, UniquacQ = 1.12, ChaoSeadAF = 0.005, ChaoSeadSP = 15280, ChaoSeadLV = 0.03463);
+end Krypton;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Maleicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Maleicacid.mo
new file mode 100644
index 0000000..c6b5aa8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Maleicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Maleicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 402, name = "Maleicacid", CAS = "110-16-7", Tc = 773, Pc = 4990000, Vc = 0.297, Cc = 0.231, Tb = 411, Tm = 403.45, TT = 403.8, TP = 98.6734, MW = 116.072, LVB = 0.090835, AF = 0.997587, SP = 30550, DM = 1.06E-29, SH = -22600000.0, IGHF = -6.794E+08, GEF = -5.96E+08, AS = 416000, HFMP = 3.47E+07, HOC = -1.2684E+09, LiqDen = {105, 0.77641, 0.231, 773, 0.28571, 0}, VP = {101, 187.4602, -19104.39, -22.78106, 6.967225E-06, 2}, LiqCp = {16, 148240, 706.52, 4.046, 0.018422, -0.000011933}, HOV = {106, 1.16446E+08, 0.325842, -0.000233021, 0.00216992, 0.484323}, VapCp = {16, 60872, -493.34, 12.58, -0.00028606, 0.0000001493}, LiqVis = {101, -11.993, 2508.3, 0.079857, -1.8766E-08, 2}, VapVis = {102, 9.0189E-08, 0.80995, 111.91, -70.22, 0}, LiqK = {16, -0.061944, -160.86, -0.25643, -0.0021458, 2.3954E-07}, VapK = {102, 0.0000021963, 1.4191, -285.03, 84199, 0}, Racketparam = 0.231, UniquacR = 3.7193, UniquacQ = 3.315, ChaoSeadAF = 0.997587, ChaoSeadSP = 30550, ChaoSeadLV = 0.090835);
+end Maleicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Maleicanhydride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Maleicanhydride.mo
new file mode 100644
index 0000000..00ea733
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Maleicanhydride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Maleicanhydride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 405, name = "Maleicanhydride", CAS = "108-31-6", Tc = 721, Pc = 7280000, Vc = 0.219, Cc = 0.266, Tb = 473.15, Tm = 325.927, TT = 325.72, TP = 289.837, MW = 98.0569, LVB = 0.0741215, AF = 0.54629, SP = 25870, DM = 1.31E-29, SH = -22600000.0, IGHF = -4.167E+08, GEF = -3.55E+08, AS = 317000, HFMP = 1.15E+07, HOC = -1.38E+09, LiqDen = {105, 1.1934, 0.26153, 721, 0.35499, 0}, VP = {101, 181.7423, -13070.32, -23.83155, 0.0000182982, 2}, LiqCp = {16, 7374.3, 412.68, 8.4647, 0.0086559, -0.0000060424}, HOV = {106, 5.7421E+07, 0.064434, 0.35394, -0.39596, 0.19018}, VapCp = {16, -39596, -169.57, 12.496, 6.0181E-08, 4.1214E-08}, LiqVis = {101, 93.459, -2744.1, -16.078, 0.000015825, 2}, VapVis = {102, 7.5282E-08, 0.87275, 168.46, -10784, 0}, LiqK = {16, 0.0050361, -137.05, -0.46443, -0.0029116, 3.9472E-07}, VapK = {102, 0.00030053, 0.85542, 634.55, 21624, 0}, Racketparam = 0.266, UniquacR = 2.903098, UniquacQ = 2.384, ChaoSeadAF = 0.54629, ChaoSeadSP = 25870, ChaoSeadLV = 0.0741215);
+end Maleicanhydride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mcresol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mcresol.mo
new file mode 100644
index 0000000..c349169
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mcresol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Mcresol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 141, name = "Mcresol", CAS = "108-39-4", Tc = 705.7, Pc = 4560000, Vc = 0.312, Cc = 0.241, Tb = 475.38, Tm = 285.39, TT = 285.39, TP = 5.86242, MW = 108.14, LVB = 0.10499, AF = 0.452, SP = 23900, DM = 5.3E-30, SH = -168070000.0, IGHF = -1.323E+08, GEF = -4.019E+07, AS = 356040, HFMP = 1.0707E+07, HOC = -3.52783E+09, LiqDen = {105, 0.76595, 0.25907, 705.86, 0.2605, 0}, VP = {101, 143.16, -12586, -17.327, 0.0000073113, 2}, LiqCp = {16, 62676, -205.39, 12.221, 0.0027125, -0.0000038975}, HOV = {106, 9.4557E+07, 0.36419, 1.602, -2.5634, 1.0947}, VapCp = {16, 58129, -537.86, 12.936, -0.000090368, 1.797E-08}, LiqVis = {101, -1098.989, 45628.63, 168.1502, -0.000185183, 2}, VapVis = {102, 1.4432E-07, 0.74376, 166.32, -45.138, 0}, LiqK = {16, 0.10478, -476.78, 0.8844, -0.0090128, 0.0000031516}, VapK = {102, 0.00016795, 0.9362, 585.89, 24552, 0}, Racketparam = 0.241, UniquacR = 4.7567, UniquacQ = 3.888, ChaoSeadAF = 0.45, ChaoSeadSP = 24080.3, ChaoSeadLV = 0.104996);
+end Mcresol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mcymene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mcymene.mo
new file mode 100644
index 0000000..c7984d4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mcymene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Mcymene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 292, name = "Mcymene", CAS = "535-77-3", Tc = 666.25, Pc = 2810000, Vc = 0.478, Cc = 0.257, Tb = 448.23, Tm = 209.44, TT = 209.44, TP = 0.0405569, MW = 134.218, LVB = 0.156604, AF = 0.342, SP = 17110, DM = 1.2E-30, SH = -1209000000.0, IGHF = -2.79909E+07, GEF = 1.301E+08, AS = 432200, HFMP = 1.37E+07, HOC = -5.55802E+09, LiqDen = {105, 0.17699, 0.14976, 666.25, 0.19922, 0}, VP = {101, 72.132, -7676.5, -7.2263, 0.0000031742, 2}, LiqCp = {16, 129560, -114.64, 10.436, 0.006807, -0.0000055776}, HOV = {106, 1.132017E+08, 4.402749, -10.71693, 11.0294, -4.113621}, VapCp = {16, 118290, -808.58, 13.818, -0.00057669, 1.7291E-07}, LiqVis = {101, -8.2582, 1048.3, -0.41448, -1.0836E-07, 2}, VapVis = {102, 0.0000018208, 0.39157, 589.66, 3771.8, 0}, LiqK = {16, -0.042558, -18.046, -1.3081, -0.0015377, 2.6414E-07}, VapK = {102, 0.0000098162, 1.3084, 45.918, 51418, 0}, Racketparam = 0.257, UniquacR = 6.0058, UniquacQ = 4.612, ChaoSeadAF = 0.342, ChaoSeadSP = 17110, ChaoSeadLV = 0.156604);
+end Mcymene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mdichlorobenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mdichlorobenzene.mo
new file mode 100644
index 0000000..07a1bb0
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mdichlorobenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Mdichlorobenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 118, name = "Mdichlorobenzene", CAS = "541-73-1", Tc = 683.95, Pc = 4070000, Vc = 0.351, Cc = 0.251, Tb = 446.23, Tm = 248.39, TT = 248.39, TP = 6.40787, MW = 147.002, LVB = 0.114533, AF = 0.27898, SP = 19570, DM = 5.74E-30, SH = -168070000.0, IGHF = 2.57E+07, GEF = 7.79E+07, AS = 343530, HFMP = 1.259E+07, HOC = -2.825E+09, LiqDen = {105, 0.74132, 0.26094, 683.95, 0.31392, 0}, VP = {101, 100.37, -9087, -11.404, 0.0000055122, 2}, LiqCp = {16, 89111, 785.31, 3.6098, 0.022491, -0.00001896}, HOV = {106, 5.2076E+07, 0.15554, -0.20298, 0.94291, -0.55524}, VapCp = {16, 56066, -490.93, 12.649, -0.00012726, 2.3703E-08}, LiqVis = {101, -114.79, 4907.5, 16.374, -0.000020623, 2}, VapVis = {102, 2.3524E-07, 0.71383, 257.29, 1880.2, 0}, LiqK = {16, 0.042347, -224.09, -0.2096, -0.006185, 0.0000024486}, VapK = {102, -1552.3, 0.68852, -2.6293E+09, -1.7751E+11, 0}, Racketparam = 0, UniquacR = 4.4376, UniquacQ = 3.288, ChaoSeadAF = 0.215834, ChaoSeadSP = 19575.7, ChaoSeadLV = 0.114641);
+end Mdichlorobenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mdiethylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mdiethylbenzene.mo
new file mode 100644
index 0000000..010b0fa
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mdiethylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Mdiethylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 295, name = "Mdiethylbenzene", CAS = "141-93-5", Tc = 663, Pc = 2880000, Vc = 0.488, Cc = 0.255, Tb = 454.252, Tm = 189.23, TT = 189.259, TP = 0.000664991, MW = 134.2182, LVB = 0.156083, AF = 0.354019, SP = 17460, DM = 1.2E-30, SH = -1209000000.0, IGHF = -2.18E+07, GEF = 1.367E+08, AS = 439500, HFMP = 1.097E+07, HOC = -5.5546E+09, LiqDen = {105, 0.52578, 0.25663, 663, 0.2955, 0}, VP = {101, 153.5552, -11090.88, -19.79091, 0.000016846, 2}, LiqCp = {16, -15019, 20.098, 11.35, 0.0044704, -0.0000034473}, HOV = {106, 6.460804E+07, 0.433681, -0.0244308, 0.0154888, -0.0245419}, VapCp = {16, 115660, -734.22, 13.598, -0.00034186, 8.9326E-08}, LiqVis = {101, -11.504, 1313.6, 0.03353, -9.5074E-08, 2}, VapVis = {102, 0.0000018496, 0.38185, 552.33, 63.517, 0}, LiqK = {16, -0.056303, 5.6194, -1.5408, -0.00033118, -0.0000010873}, VapK = {102, 0.25407, -0.039016, -216.19, 1832400, 0}, Racketparam = 0.255, UniquacR = 6.0066, UniquacQ = 4.616, ChaoSeadAF = 0.354019, ChaoSeadSP = 17460, ChaoSeadLV = 0.156083);
+end Mdiethylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mesitylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mesitylene.mo
new file mode 100644
index 0000000..ef633f8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mesitylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Mesitylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 287, name = "Mesitylene", CAS = "108-67-8", Tc = 637.3, Pc = 3127000, Vc = 0.43, Cc = 0.252, Tb = 437.9, Tm = 228.46, TT = 228.42, TP = 0.742135, MW = 120.194, LVB = 0.14299, AF = 0.399, SP = 17940, DM = 0, SH = -1209000000.0, IGHF = -1.605E+07, GEF = 1.181E+08, AS = 385410, HFMP = 9514000, HOC = -4.92904E+09, LiqDen = {105, 0.59019, 0.25742, 637.3, 0.27724, 0}, VP = {101, 118.5616, -9560.276, -14.30644, 9.375247E-06, 2}, LiqCp = {16, 152130, 279.49, 4.8304, 0.024632, -0.000024309}, HOV = {106, 6.9292E+07, 1.0706, -1.5094, 1.269, -0.42864}, VapCp = {16, 76799, -561.49, 13.016, 0.00018488, -8.0041E-08}, LiqVis = {101, -11.283, 1439.3, -0.15787, 0.0000019934, 2}, VapVis = {102, 3.4877E-07, 0.61399, 342.31, -16742, 0}, LiqK = {16, -0.012521, 77.398, -2.4912, 0.0027181, -0.0000053908}, VapK = {102, 0.3225, -0.079944, -464.54, 1938200, 0}, Racketparam = 0.252, UniquacR = 5.3928, UniquacQ = 4.104, ChaoSeadAF = 0.399, ChaoSeadSP = 17940, ChaoSeadLV = 0.14299);
+end Mesitylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methacrylicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methacrylicacid.mo
new file mode 100644
index 0000000..422ddb4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methacrylicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methacrylicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 395, name = "Methacrylicacid", CAS = "79-41-4", Tc = 643, Pc = 4700000, Vc = 0.27, Cc = 0.244, Tb = 433.65, Tm = 288.15, TT = 288.15, TP = 58.5615, MW = 86.0892, LVB = 0.0852843, AF = 0.331817, SP = 21000, DM = 5.5E-30, SH = -22600000.0, IGHF = -3.68E+08, GEF = -2.88E+08, AS = 350000, HFMP = 0, HOC = -1.93E+09, LiqDen = {105, 2.1083, 0.37321, 643, 0.47743, 0}, VP = {101, 9.843112, -6238.161, 2.965581, -0.0000105952, 2}, LiqCp = {16, 130480, 265.42, 3.971, 0.026507, -0.000026858}, HOV = {106, 7009500, -12.334, 36.335, -42.263, 18.248}, VapCp = {16, 48894, -560.59, 12.692, -0.00031458, 1.4407E-07}, LiqVis = {101, 0.054722, 968.88, -1.7788, 0.0000031087, 2}, VapVis = {102, 9.4671E-08, 0.81582, 92.397, 383.72, 0}, LiqK = {16, -0.067603, 29.398, -1.512, 0.00016774, -0.0000015769}, VapK = {102, 0.000065218, 1.0555, 299.46, 29315, 0}, Racketparam = 0.244, UniquacR = 3.3197, UniquacQ = 3.06, ChaoSeadAF = 0.331817, ChaoSeadSP = 21000, ChaoSeadLV = 0.0852843);
+end Methacrylicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methacrylonitrile.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methacrylonitrile.mo
new file mode 100644
index 0000000..5c93234
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methacrylonitrile.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methacrylonitrile
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 73, name = "Methacrylonitrile", CAS = "126-98-7", Tc = 554, Pc = 3880000, Vc = 0.265, Cc = 0.223, Tb = 363.45, Tm = 237.35, TT = 237.35, TP = 268.868, MW = 67.0892, LVB = 0.0844058, AF = 0.301271, SP = 19090, DM = 1.23E-29, SH = 304600000.0, IGHF = 9.803E+07, GEF = 1.64E+08, AS = 223800, HFMP = 0, HOC = -2.243E+09, LiqDen = {105, 0.89537, 0.23729, 554, 0.29629, 0}, VP = {101, 56.07917, -5342.951, -5.152858, 4.011012E-06, 2}, LiqCp = {16, 125060, 169.88, 6.1441, 0.015707, -0.000014502}, HOV = {106, 4.4103E+07, 0.56334, -0.51577, 0.31852, -0.072403}, VapCp = {16, 68640, -664.02, 12.252, 0.000039427, -4.9098E-08}, LiqVis = {101, -14.973, 1174.5, 0.57272, -0.0000017357, 2}, VapVis = {102, 3.3003E-07, 0.64938, 329.57, -240, 0}, LiqK = {16, 0.095479, 1984.5, -23.334, 0.076497, -0.000098215}, VapK = {102, 0.0010085, 1.2282, 49915, 0.89214, 0}, Racketparam = 0, UniquacR = 2.987475, UniquacQ = 2.712, ChaoSeadAF = 0.301271, ChaoSeadSP = 19094, ChaoSeadLV = 0.0844058);
+end Methacrylonitrile;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methane.mo
new file mode 100644
index 0000000..243a9e1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 31, name = "Methane", CAS = "74-82-8", Tc = 190.56, Pc = 4599000, Vc = 0.0986, Cc = 0.286, Tb = 111.66, Tm = 90.694, TT = 90.694, TP = 11696, MW = 16.043, LVB = 0.03554, AF = 0.011, SP = 11600, DM = 0, SH = -74520000.0, IGHF = -7.452E+07, GEF = -5.049E+07, AS = 186270, HFMP = 941400, HOC = -8.0262E+08, LiqDen = {105, 1.894, 0.23603, 191.05, 0.21974, 0}, VP = {101, 39.98844, -1337.308, -3.580049, 0.0000320698, 2}, LiqCp = {16, 61157, 5034.1, -48.913, -0.22998, 0.0022243}, HOV = {106, 1.4418E+07, 2.3055, -5.4199, 5.658, -2.1286}, VapCp = {16, 33151.9, -1220.001, 12.0907, -0.000384791, 9.896403E-08}, LiqVis = {101, -45.328, 724.39, 6.5917, -0.00010373, 2}, VapVis = {102, 5.3432E-07, 0.58831, 114.58, -1338.5, 0}, LiqK = {16, 0.011567, -46.041, 0.10435, -0.012133, -0.0000051716}, VapK = {102, 0.0000074705, 1.4432, -57.569, 587.82, 0}, Racketparam = 0.2876, UniquacR = 1.1239, UniquacQ = 1.152, ChaoSeadAF = 0, ChaoSeadSP = 11618.44, ChaoSeadLV = 0.0378392);
+end Methane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methanol.mo
new file mode 100644
index 0000000..b8a9f21
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 32, name = "Methanol", CAS = "67-56-1", Tc = 512.64, Pc = 8097000, Vc = 0.118, Cc = 0.224, Tb = 337.69, Tm = 175.47, TT = 175.47, TP = 0.111264, MW = 32.042, LVB = 0.04073, AF = 0.565, SP = 29440, DM = 5.67E-30, SH = -74520000.0, IGHF = -2.0094E+08, GEF = -1.6232E+08, AS = 239880, HFMP = 3215000, HOC = -6.382E+08, LiqDen = {105, 1.7918, 0.23929, 512.64, 0.21078, 0}, VP = {101, 73.40342, -6548.076, -7.409987, 5.72492E-06, 2}, LiqCp = {16, 62799, 1254.2, -5.9906, 0.052937, -0.00004711}, HOV = {106, 5.8058E+07, 0.87168, -0.81501, 0.1695, 0.17846}, VapCp = {16, 36313.16, -680.4577, 11.10203, 0.000756766, -2.902645E-07}, LiqVis = {101, -32.996, 1981.4, 3.3666, -0.0000039246, 2}, VapVis = {102, 3.0654E-07, 0.69658, 204.87, 24.304, 0}, LiqK = {16, -0.056817, 13.156, -1.2214, -0.00028282, -0.0000010129}, VapK = {102, 7.8368E-07, 1.7569, 108.12, -21101, 0}, Racketparam = 0, UniquacR = 1.43, UniquacQ = 1.43, ChaoSeadAF = 0.5589, ChaoSeadSP = 29546.4, ChaoSeadLV = 0.0407027);
+end Methanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/MethylDiEthanolAmine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/MethylDiEthanolAmine.mo
new file mode 100644
index 0000000..05309ce
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/MethylDiEthanolAmine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model MethylDiEthanolAmine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 424, name = "MethylDiEthanolAmine", CAS = "105-59-9", Tc = 741.9, Pc = 4160000, Vc = 0.365, Cc = 0.246154, Tb = 520.15, Tm = 252.15, TT = 252.15, TP = 0.00203612, MW = 119.162, LVB = 0.115302, AF = 1.1649, SP = 28140, DM = 9.53993E-30, SH = -61100000.0, IGHF = -3.8E+08, GEF = -1.69E+08, AS = 469000, HFMP = 0, HOC = -3.06E+09, LiqDen = {105, 0.69135, 0.25418, 675, 0.2857, 0}, VP = {101, -0.352098, -4812.65, 3.121045, 6.605463E-06, 2}, LiqCp = {4, 181326, 26.21689, 0.880838, 0, -0.00001581}, HOV = {106, 1.40201E+08, 0.632751, 0.350924, -0.633597, 0.0584955}, VapCp = {16, 89777, -550.24, 13.01, 0.000045139, -3.2024E-08}, LiqVis = {101, -162.0804, 9995.149, 22.49076, -0.0000361184, 1.932506}, VapVis = {102, 7.7364E-08, 0.84268, 140.24, -9063.1, 0}, LiqK = {16, -0.869, 15, 0, 0, 0}, VapK = {102, 0.00016443, 0.97072, 595.54, 41960, 0}, Racketparam = 0.254, UniquacR = 5.8841, UniquacQ = 5.5, ChaoSeadAF = 1.1649, ChaoSeadSP = 28140, ChaoSeadLV = 0.115302);
+end MethylDiEthanolAmine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/MethylEthylCarbonate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/MethylEthylCarbonate.mo
new file mode 100644
index 0000000..00c84fa
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/MethylEthylCarbonate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model MethylEthylCarbonate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 414, name = "MethylEthylCarbonate", CAS = "623-53-0", Tc = 565.93, Pc = 3828600, Vc = 0.30149, Cc = 0.24531, Tb = 385.68, Tm = 258.65, TT = 0, TP = 0, MW = 104.1054, LVB = 0.1108, AF = 0.31086, SP = 20328.39, DM = 0, SH = -61100000.0, IGHF = 6.510304E+07, GEF = -2.776586, AS = 1164449, HFMP = 0, HOC = -2.608223, LiqDen = {0, 0, 0, 0, 0, 0}, VP = {10, 21.71522, 3376.596, -49.461, 0, 0}, LiqCp = {0, 0, 0, 0, 0, 0}, HOV = {106, 2.0559E+07, 0.38, 0, 0, 0}, VapCp = {4, 160.9996, 288.84, -0.1394, 0.0000245, 0}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {0, 0, 0, 0, 0, 0}, LiqK = {16, 0, 0, 0, 0, 0}, VapK = {0, 0, 0, 0, 0, 0}, Racketparam = 0.24531, UniquacR = 4.0566, UniquacQ = 3.626, ChaoSeadAF = 0.31086, ChaoSeadSP = 0, ChaoSeadLV = 0.1108);
+end MethylEthylCarbonate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/MethylPhenylCarbonate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/MethylPhenylCarbonate.mo
new file mode 100644
index 0000000..7a7626a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/MethylPhenylCarbonate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model MethylPhenylCarbonate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 415, name = "MethylPhenylCarbonate", CAS = "13509-27-8", Tc = 711.76, Pc = 3441000, Vc = 0.42129, Cc = 0.244961, Tb = 491.76, Tm = 0, TT = 0, TP = 0, MW = 152.1494, LVB = 0.1385, AF = 0.41299, SP = 19646.23, DM = 0, SH = -61100000.0, IGHF = 1.345156E+08, GEF = 1.178139E+08, AS = 931814.4, HFMP = 0, HOC = -4.252756, LiqDen = {0, 0, 0, 0, 0, 0}, VP = {10, 23.07041, 5677.005, 0, 0, 0}, LiqCp = {0, 0, 0, 0, 0, 0}, HOV = {106, 4.6776E+07, 0.38, 0, 0, 0}, VapCp = {4, -37380, 589.92, -0.3882, 0.0000976, 0}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {0, 0, 0, 0, 0, 0}, LiqK = {16, 0, 0, 0, 0, 0}, VapK = {0, 0, 0, 0, 0, 0}, Racketparam = 0.244961, UniquacR = 5.5028, UniquacQ = 4.358, ChaoSeadAF = 0.41299, ChaoSeadSP = 0, ChaoSeadLV = 0.1385);
+end MethylPhenylCarbonate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylacetate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylacetate.mo
new file mode 100644
index 0000000..0031373
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylacetate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylacetate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 64, name = "Methylacetate", CAS = "79-20-9", Tc = 506.8, Pc = 4690000, Vc = 0.228, Cc = 0.254, Tb = 330.09, Tm = 175.15, TT = 175.15, TP = 1.01703, MW = 74.079, LVB = 0.07989, AF = 0.323, SP = 19350, DM = 5.6E-30, SH = 20230000.0, IGHF = -4.119E+08, GEF = -3.242E+08, AS = 319800, HFMP = 7970000, HOC = -1.461E+09, LiqDen = {105, 0.98331, 0.2428, 506.86, 0.2549, 0}, VP = {101, 83.01817, -6288.581, -9.185862, 7.595367E-06, 2}, LiqCp = {16, 6314.4, 680.3, 4.1767, 0.026148, -0.000027341}, HOV = {106, 4.9929E+07, 0.79197, -0.73136, 0.37429, -0.019974}, VapCp = {16, 62235, -685.05, 12.348, 0.00012363, -8.5641E-08}, LiqVis = {101, 11.12, -100.13, -3.2745, -5.3051E-07, 2}, VapVis = {102, 0.0000013226, 0.48849, 504.21, 4.2341, 0}, LiqK = {16, -0.28416, 27.186, -0.94457, 0.00083974, -0.0000024412}, VapK = {102, -23257, -0.1738, 1.0287E+07, -6.9243E+10, 0}, Racketparam = 0, UniquacR = 2.8, UniquacQ = 2.58, ChaoSeadAF = 0.326, ChaoSeadSP = 19435.1, ChaoSeadLV = 0.0798903);
+end Methylacetate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylacetylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylacetylene.mo
new file mode 100644
index 0000000..aafab53
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylacetylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylacetylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 59, name = "Methylacetylene", CAS = "74-99-7", Tc = 402.4, Pc = 5630000, Vc = 0.1635, Cc = 0.275, Tb = 250.12, Tm = 170.45, TT = 170.45, TP = 414.934, MW = 40.065, LVB = 0.06231, AF = 0.214, SP = 15870, DM = 2.61E-30, SH = 184900000.0, IGHF = 1.849E+08, GEF = 1.9384E+08, AS = 248360, HFMP = 5350000, HOC = -1.8487E+09, LiqDen = {105, 1.5983, 0.26361, 402.4, 0.27835, 0}, VP = {101, 68.97649, -4285.953, -7.418705, 0.000010515, 2}, LiqCp = {16, 85291, 38.538, 6.7428, 0.016885, -0.000022161}, HOV = {106, 3.4954E+07, 0.52948, 0.26449, -0.89434, 0.5174}, VapCp = {16, 34169.26, -350.7621, 11.18743, 0.000684714, -2.185041E-07}, LiqVis = {101, -0.91891, 242.44, -1.5439, 5.0147E-07, 2}, VapVis = {102, 0.0000010586, 0.48791, 277.58, 3995.6, 0}, LiqK = {16, 0.065025, -121.87, -0.025752, -0.0097723, 0.0000047452}, VapK = {102, 0.00029245, 0.88088, 248.57, 78809, 0}, Racketparam = 0.2703, UniquacR = 2.1931, UniquacQ = 1.936, ChaoSeadAF = 0.2176, ChaoSeadSP = 18393.2, ChaoSeadLV = 0.0596157);
+end Methylacetylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylal.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylal.mo
new file mode 100644
index 0000000..c963f49
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylal.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylal
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 423, name = "Methylal", CAS = "109-87-5", Tc = 480.6, Pc = 3950000, Vc = 0.213, Cc = 0.211, Tb = 315, Tm = 168, TT = 168.35, TP = 1.13284, MW = 76.0944, LVB = 0.0891275, AF = 0.285565, SP = 17430, DM = 2.47E-30, SH = -61100000.0, IGHF = -3.482E+08, GEF = -2.263E+08, AS = 335700, HFMP = 8330000, HOC = -1.7998E+09, LiqDen = {105, 1.4351, 0.30572, 480.6, 0.31739, 0}, VP = {101, 62.15058, -5217.94, -5.982976, 3.491239E-06, 2}, LiqCp = {16, 134330, 575.02, 0.73414, 0.035906, -0.00003541}, HOV = {106, 4.956236E+07, 0.517705, 0.708214, -1.530256, 0.744705}, VapCp = {16, 73387, -1249, 14.774, -0.0029552, 0.0000012399}, LiqVis = {101, -8.4058, 722.36, -0.36572, 2.4819E-07, 2}, VapVis = {102, 4.8512E-07, 0.60235, 248.43, -1208.9, 0}, LiqK = {16, 0.11543, -776.65, 7.882, -0.041206, 0.000038121}, VapK = {102, 0.0014869, 0.65846, 470.64, 206460, 0}, Racketparam = 0.211, UniquacR = 2.964403, UniquacQ = 2.716, ChaoSeadAF = 0.285565, ChaoSeadSP = 17430, ChaoSeadLV = 0.0891275);
+end Methylal;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylamine.mo
new file mode 100644
index 0000000..e7057fb
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 33, name = "Methylamine", CAS = "74-89-5", Tc = 430, Pc = 7420000, Vc = 0.125, Cc = 0.259, Tb = 266.82, Tm = 179.69, TT = 179.69, TP = 176.712, MW = 31.057, LVB = 0.04734, AF = 0.284, SP = 21270, DM = 4.37E-30, SH = -22970000.0, IGHF = -2.297E+07, GEF = 3.207E+07, AS = 243300, HFMP = 6134000, HOC = -9.7508E+08, LiqDen = {105, 1.39, 0.21405, 430.05, 0.2275, 0}, VP = {101, 74.79969, -5067.174, -8.028002, 7.988835E-06, 2}, LiqCp = {16, 90815, 374.96, 2.7431, 0.031527, -0.000044978}, HOV = {106, 4.6499E+07, 1.6058, -3.2311, 3.4082, -1.3345}, VapCp = {16, 40540, -902.15, 12.495, -0.00072761, 0.0000002382}, LiqVis = {101, 9.645, 448.12, -3.737, 0.000017508, 2}, VapVis = {102, 5.4475E-07, 0.58715, 230.63, -2982.2, 0}, LiqK = {16, 0.19876, 9592, -137.2, 0.62482, -0.00097954}, VapK = {102, -51.979, 1.0721, -4.4966E+08, 4.2697E+09, 0}, Racketparam = 0, UniquacR = 1.5959, UniquacQ = 1.544, ChaoSeadAF = 0.281272, ChaoSeadSP = 23116, ChaoSeadLV = 0.0447131);
+end Methylamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylchloride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylchloride.mo
new file mode 100644
index 0000000..fdf9c0e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylchloride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylchloride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 29, name = "Methylchloride", CAS = "74-87-3", Tc = 416.2, Pc = 6680000, Vc = 0.143, Cc = 0.276, Tb = 248.95, Tm = 175.45, TT = 175.43, TP = 867.6, MW = 50.488, LVB = 0.05059, AF = 0.151, SP = 17320, DM = 6.24E-30, SH = -81960000.0, IGHF = -8.196E+07, GEF = -5.844E+07, AS = 234180, HFMP = 6548000, HOC = -6.7538E+08, LiqDen = {105, 1.6672, 0.24865, 416.26, 0.26843, 0}, VP = {101, 73.95113, -4332.347, -8.308415, 0.0000132119, 2}, LiqCp = {16, 72914, 778.6, -9.5627, 0.081286, -0.000092921}, HOV = {106, 3.0406E+07, 0.41721, -0.045158, -0.067629, 0.055437}, VapCp = {16, 32790.34, -743.4513, 11.51178, -0.0000302967, 1.138778E-09}, LiqVis = {101, -60.189, 2252.1, 8.022, -0.000019477, 2}, VapVis = {102, 8.5916E-08, 0.87071, 35.619, 35.603, 0}, LiqK = {16, -0.22503, 12.649, -0.64685, -0.0003032, -0.0000029812}, VapK = {102, -22144, 0.7661, -4.8548E+10, -3.7839E+10, 0}, Racketparam = 0, UniquacR = 1.667106, UniquacQ = 1.568, ChaoSeadAF = 0.153068, ChaoSeadSP = 19719.7, ChaoSeadLV = 0.0501264);
+end Methylchloride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylcyclohexane.mo
new file mode 100644
index 0000000..a00ae9e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 144, name = "Methylcyclohexane", CAS = "108-87-2", Tc = 572.19, Pc = 3471000, Vc = 0.368, Cc = 0.268, Tb = 374.09, Tm = 146.58, TT = 146.58, TP = 0.000152251, MW = 98.188, LVB = 0.12835, AF = 0.235, SP = 16060, DM = 0, SH = -168070000.0, IGHF = -1.548E+08, GEF = 2.733E+07, AS = 343300, HFMP = 6751000, HOC = -4.25714E+09, LiqDen = {105, 0.54994, 0.23476, 572.19, 0.25237, 0}, VP = {101, 84.02524, -6720.084, -9.367446, 6.892527E-06, 2}, LiqCp = {16, 121540, -7.0302, 8.197, 0.012761, -0.000010388}, HOV = {106, 5.3741E+07, 0.65698, 0.0050875, -0.53082, 0.29149}, VapCp = {16, 82902, -804.58, 13.697, -0.00042977, 1.1051E-07}, LiqVis = {101, -11.411, 1214.3, 0.0090457, -0.0000000327, 2}, VapVis = {102, 6.5256E-07, 0.52942, 310.39, 23.825, 0}, LiqK = {16, 0.035771, -249.64, 0.10904, -0.0066567, 0.0000013937}, VapK = {102, 0.000074754, 1.119, 613.15, 22882, 0}, Racketparam = 0.2699, UniquacR = 4.72, UniquacQ = 3.776, ChaoSeadAF = 0.2421, ChaoSeadSP = 16016.26, ChaoSeadLV = 0.1283);
+end Methylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylcyclopentane.mo
new file mode 100644
index 0000000..1870844
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 131, name = "Methylcyclopentane", CAS = "96-37-7", Tc = 532.79, Pc = 3784000, Vc = 0.319, Cc = 0.272, Tb = 344.98, Tm = 130.73, TT = 130.73, TP = 0.000224525, MW = 84.161, LVB = 0.11313, AF = 0.227, SP = 16100, DM = 0, SH = -168070000.0, IGHF = -1.062E+08, GEF = 3.63E+07, AS = 339900, HFMP = 6929000, HOC = -3.6741E+09, LiqDen = {105, 0.63455, 0.23477, 532.79, 0.24394, 0}, VP = {101, 63.18203, -5470.368, -6.215132, 4.384737E-06, 2}, LiqCp = {16, 102830, 317.53, 4.999, 0.022368, -0.000020298}, HOV = {106, 4.986429E+07, 0.75425, -0.186227, -0.50621, 0.35999}, VapCp = {16, 55624, -676.34, 13.207, -0.0001363, 2.6321E-08}, LiqVis = {101, -9.2288, 846.65, -0.18612, -0.0000022383, 2}, VapVis = {102, 0.0000009078, 0.495, 355.78, 10.622, 0}, LiqK = {16, -0.040815, 4.4808, -1.5434, -0.00050494, -0.0000017671}, VapK = {102, 0.0076653, 0.48521, 479.72, 658190, 0}, Racketparam = 0, UniquacR = 3.97, UniquacQ = 3.01, ChaoSeadAF = 0.2346, ChaoSeadSP = 16057.17, ChaoSeadLV = 0.1131);
+end Methylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethanolamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethanolamine.mo
new file mode 100644
index 0000000..85484b6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethanolamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylethanolamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 377, name = "Methylethanolamine", CAS = "109-83-1", Tc = 630, Pc = 5300000, Vc = 0.25901, Cc = 0.262, Tb = 432.388, Tm = 268.65, TT = 268.65, TP = 11.1091, MW = 75.112, LVB = 0.082206, AF = 0.604, SP = 25930, DM = 7.2E-30, SH = -22600000.0, IGHF = -1.98E+08, GEF = -6.11E+07, AS = 344000, HFMP = 8760000, HOC = -2.01E+09, LiqDen = {105, 0.982868, 0.255663, 630, 0.231239, 0}, VP = {101, 101.1268, -9896.461, -11.12231, 4.333878E-06, 2}, LiqCp = {4, 65879.9, 415.0007, 0.00004583, 2.109E-09, -0.0000030816}, HOV = {106, 8.3715E+07, 1.1304, -1.7736, 1.7333, -0.66961}, VapCp = {16, 50351, -464.92, 12.353, 0.00032078, -1.1521E-07}, LiqVis = {101, -8.8113, 2947, -0.99316, 4.0603E-07, 2}, VapVis = {102, 2.1919E-07, 0.70935, 211, -8775.4, 0}, LiqK = {16, -0.011378, -96.849, -0.47605, -0.0029428, 4.7129E-07}, VapK = {102, 0.00021463, 0.94857, 622.07, 15372, 0}, Racketparam = 0.262, UniquacR = 3.7825, UniquacQ = 3.524, ChaoSeadAF = 0.604, ChaoSeadSP = 25930, ChaoSeadLV = 0.082206);
+end Methylethanolamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethylether.mo
new file mode 100644
index 0000000..91bfc74
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylethylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 326, name = "Methylethylether", CAS = "540-67-0", Tc = 437.8, Pc = 4400000, Vc = 0.221, Cc = 0.267, Tb = 280.5, Tm = 160, TT = 160, TP = 7.85121, MW = 60.096, LVB = 0.08585, AF = 0.236, SP = 15370, DM = 4.1E-30, SH = -216400000.0, IGHF = -2.164E+08, GEF = -1.177E+08, AS = 308810, HFMP = 7980000, HOC = -1.9314E+09, LiqDen = {105, 1.1195, 0.26367, 437.86, 0.25231, 0}, VP = {101, 63.84, -4659.2, -6.4137, 0.0000057727, 2}, LiqCp = {16, 109050, -31.645, 7.7783, 0.0084684, 0.0000041202}, HOV = {106, 1.3679E+08, 9.4948, -25.655, 28.424, -11.603}, VapCp = {16, 60571, -557.18, 12.079, 0.00048084, -1.7581E-07}, LiqVis = {101, -11.138, 628.05, 0.042345, -2.0281E-08, 2}, VapVis = {102, 2.9661E-07, 0.6716, 174.02, -2778.1, 0}, LiqK = {16, 0.029003, 34.124, -1.9356, 0.0010295, -0.0000079939}, VapK = {102, 0.00021058, 0.94472, 515.36, 8108.3, 0}, Racketparam = 0.267, UniquacR = 2.7205, UniquacQ = 2.476, ChaoSeadAF = 0.236, ChaoSeadSP = 15370, ChaoSeadLV = 0.08585);
+end Methylethylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethylketone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethylketone.mo
new file mode 100644
index 0000000..7504498
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethylketone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylethylketone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 83, name = "Methylethylketone", CAS = "78-93-3", Tc = 536.8, Pc = 4210000, Vc = 0.267, Cc = 0.252, Tb = 352.71, Tm = 186.48, TT = 186.48, TP = 1.3904, MW = 72.107, LVB = 0.09013, AF = 0.322, SP = 18880, DM = 9.21E-30, SH = -17100000.0, IGHF = -2.39E+08, GEF = -1.47E+08, AS = 339400, HFMP = 8385000, HOC = -2.268E+09, LiqDen = {105, 0.16518, 0.10716, 536.8, 0.15066, 0}, VP = {101, 84.00012, -6498.964, -9.389584, 8.32043E-06, 2}, LiqCp = {16, 137210, 245.98, 6.3249, 0.009404, 3.3143E-07}, HOV = {106, 4.7221E+07, 0.30759, 0.48591, -0.8645, 0.45018}, VapCp = {16, 69404, -545.04, 12.139, 0.00045578, -1.6351E-07}, LiqVis = {101, -0.60519, 503.02, -1.5659, 5.5782E-08, 2}, VapVis = {102, 2.8817E-08, 0.96765, -28.58, 7703, 0}, LiqK = {16, -0.17871, 4.3086, -1.0343, 0.00010801, -0.0000015411}, VapK = {102, -4970700, -0.23106, 2.2577E+09, -1.0834E+13, 0}, Racketparam = 0, UniquacR = 3.25, UniquacQ = 2.88, ChaoSeadAF = 0.3241, ChaoSeadSP = 18878.7, ChaoSeadLV = 0.0901936);
+end Methylethylketone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethylsulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethylsulfide.mo
new file mode 100644
index 0000000..8cfc9eb
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylethylsulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylethylsulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 354, name = "Methylethylsulfide", CAS = "624-89-5", Tc = 533, Pc = 4260000, Vc = 0.26, Cc = 0.25, Tb = 339.8, Tm = 167.24, TT = 167.23, TP = 0.224563, MW = 76.163, LVB = 0.09102, AF = 0.208, SP = 18010, DM = 5.34E-30, SH = -22600000.0, IGHF = -5.93E+07, GEF = 1.19E+07, AS = 332100, HFMP = 9761000, HOC = -2.3531E+09, LiqDen = {105, 1.067, 0.27102, 533, 0.29364, 0}, VP = {101, 84.44792, -6287.173, -9.497514, 8.101952E-06, 2}, LiqCp = {16, 128430, 1340.2, -7.9347, 0.062009, -0.00006022}, HOV = {106, 5.1014E+07, 1.045, -1.3834, 1.1914, -0.41055}, VapCp = {16, 65018, -602.45, 12.269, 0.00023938, -9.0299E-08}, LiqVis = {101, -11.137, 871.68, 0.048227, -1.2198E-07, 2}, VapVis = {102, 1.5396E-07, 0.76205, 156.76, -5273.3, 0}, LiqK = {16, -0.050172, -1.1207, -1.3208, -0.00082247, -0.0000013076}, VapK = {102, 0.0034168, 0.62158, 1811.6, 162180, 0}, Racketparam = 0.25, UniquacR = 3.1885, UniquacQ = 2.756, ChaoSeadAF = 0.208, ChaoSeadSP = 18010, ChaoSeadLV = 0.09102);
+end Methylethylsulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylformate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylformate.mo
new file mode 100644
index 0000000..eabf212
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylformate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylformate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 49, name = "Methylformate", CAS = "107-31-3", Tc = 487.2, Pc = 6000000, Vc = 0.172, Cc = 0.255, Tb = 304.9, Tm = 174.15, TT = 174.15, TP = 6.88085, MW = 60.053, LVB = 0.06214, AF = 0.253, SP = 20500, DM = 5.9E-30, SH = -52630000.0, IGHF = -3.524E+08, GEF = -2.95E+08, AS = 285200, HFMP = 7531000, HOC = -8.924E+08, LiqDen = {105, 1.213, 0.23619, 487.2, 0.24621, 0}, VP = {101, 70.6458, -5401.751, -7.334787, 5.934343E-06, 2}, LiqCp = {16, 97064, 3377.4, -42.373, 0.22648, -0.00029763}, HOV = {106, 7.0578E+07, 3.7855, -9.0874, 9.6043, -3.7868}, VapCp = {16, 41319, -570.15, 12.038, -0.000034216, -2.7109E-11}, LiqVis = {101, -9.949, 1214.4, -0.53562, 0.000010346, 2}, VapVis = {102, 0.0000069776, 0.31537, 1034.6, 13.293, 0}, LiqK = {16, 0.0090363, 23.594, -1.5627, 0.00089283, -0.0000058101}, VapK = {102, -817050, -0.23016, 2.5314E+08, -1.5205E+12, 0}, Racketparam = 0, UniquacR = 2.1431, UniquacQ = 2.036, ChaoSeadAF = 0.257, ChaoSeadSP = 20503.4, ChaoSeadLV = 0.0620841);
+end Methylformate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyliodide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyliodide.mo
new file mode 100644
index 0000000..8a69e97
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyliodide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methyliodide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 30, name = "Methyliodide", CAS = "74-88-4", Tc = 528, Pc = 7370000, Vc = 0.185, Cc = 0.311, Tb = 315.58, Tm = 206.7, TT = 206.7, TP = 254.555, MW = 141.939, LVB = 0.062667, AF = 0.19716, SP = 20180, DM = 5.4E-30, SH = -81960000.0, IGHF = 1.3E+07, GEF = 1.47E+07, AS = 254000, HFMP = 0, HOC = -7.096E+08, LiqDen = {105, 1.3975, 0.25854, 528, 0.2679, 0}, VP = {101, 56.57754, -4804.529, -5.238128, 3.097144E-06, 2}, LiqCp = {16, 81227, -510450, 4831.2, -15.234, 0.016088}, HOV = {106, 3.3737E+07, -0.25822, 1.7219, -2.0034, 0.83642}, VapCp = {16, 33243, -588.89, 11.23, 0.00016737, -5.0885E-08}, LiqVis = {101, -8.0691, 650.82, -0.30881, -1.1201E-07, 2}, VapVis = {102, 7.1469E-07, 0.6322, 292.39, -1664.7, 0}, LiqK = {16, 0.025022, -2.7147, -2.1673, -0.0005511, -0.000004231}, VapK = {102, 0.15913, 0.010769, 1577.4, 2109400, 0}, Racketparam = 0, UniquacR = 2.1651, UniquacQ = 1.84, ChaoSeadAF = 0.192721, ChaoSeadSP = 20172.3, ChaoSeadLV = 0.062667);
+end Methyliodide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisobutylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisobutylether.mo
new file mode 100644
index 0000000..7f3ed92
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisobutylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylisobutylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 329, name = "Methylisobutylether", CAS = "625-44-5", Tc = 497, Pc = 3410000, Vc = 0.329, Cc = 0.272, Tb = 331.7, Tm = 0, TT = 0, TP = 0, MW = 88.1482, LVB = 0.121242, AF = 0.307786, SP = 15100, DM = 4.7E-30, SH = -216400000.0, IGHF = -2.66E+08, GEF = -1.07E+08, AS = 381000, HFMP = 0, HOC = -3.122E+09, LiqDen = {105, 0.83514, 0.27544, 497, 0.27525, 0}, VP = {101, 67.83965, -5584.772, -6.90156, 5.177794E-06, 2}, LiqCp = {16, 156890, 481.87, 3.1798, 0.023292, -0.000015219}, HOV = {106, 4.281E+07, 0.34436, 0.050812, -0.029168, 0.014527}, VapCp = {16, 84480, -573.48, 12.645, 0.00036001, -1.6026E-07}, LiqVis = {101, -6.5049, 776.05, -0.79051, 0.0000029469, 2}, VapVis = {102, 2.7344E-07, 0.65828, 203.42, -5560.1, 0}, LiqK = {16, -0.1664, 6.1773, -1.0308, -0.0004394, -9.9213E-07}, VapK = {102, 0.00016088, 0.97231, 471.48, 30281, 0}, Racketparam = 0.272, UniquacR = 4.0685, UniquacQ = 3.552, ChaoSeadAF = 0.307786, ChaoSeadSP = 15100, ChaoSeadLV = 0.121242);
+end Methylisobutylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisobutylketone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisobutylketone.mo
new file mode 100644
index 0000000..caa4c39
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisobutylketone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylisobutylketone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 307, name = "Methylisobutylketone", CAS = "108-10-1", Tc = 574.6, Pc = 3270000, Vc = 0.3406, Cc = 0.256, Tb = 389.15, Tm = 189.15, TT = 189.15, TP = 0.0698742, MW = 100.161, LVB = 0.12581, AF = 0.352, SP = 17420, DM = 9.0E-30, SH = -1209000000.0, IGHF = -2.88E+08, GEF = -1.351E+08, AS = 407000, HFMP = 9710000, HOC = -3.49E+09, LiqDen = {105, 0.70438, 0.26215, 574.6, 0.2872, 0}, VP = {101, 151.9969, -9958.63, -19.68914, 0.0000167819, 2}, LiqCp = {16, 93433, -8.9197, 10.885, 0.0029916, -6.6769E-07}, HOV = {106, 2.7929E+07, -4.5647, 14.372, -16.097, 6.5387}, VapCp = {16, 97540, -634.68, 12.939, 0.000018497, -1.9665E-08}, LiqVis = {101, -9.5441, 1138.8, -0.34128, 0.0000016581, 2}, VapVis = {102, 2.9033E-07, 0.63516, 190.41, 3013.2, 0}, LiqK = {16, 0.05085, -96.32, -0.95078, -0.0031661, -0.0000020547}, VapK = {102, -874190, 0.020464, 1.7911E+07, -8.1274E+12, 0}, Racketparam = 0.256, UniquacR = 4.5959, UniquacQ = 3.952, ChaoSeadAF = 0.352, ChaoSeadSP = 17420, ChaoSeadLV = 0.12581);
+end Methylisobutylketone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisopropylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisopropylether.mo
new file mode 100644
index 0000000..385e46b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisopropylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylisopropylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 330, name = "Methylisopropylether", CAS = "598-53-8", Tc = 464.48, Pc = 3762000, Vc = 0.276, Cc = 0.269, Tb = 303.92, Tm = 127.93, TT = 127.93, TP = 0.00332352, MW = 74.1216, LVB = 0.1046, AF = 0.26555, SP = 15160, DM = 4.16E-30, SH = -216400000.0, IGHF = -2.52E+08, GEF = -1.209E+08, AS = 338300, HFMP = 5850000, HOC = -2.5311E+09, LiqDen = {105, 0.82094, 0.24798, 464.48, 0.26184, 0}, VP = {101, 61.57822, -4874.158, -6.034163, 5.097159E-06, 2}, LiqCp = {16, 123760, 190.2, 5.9878, 0.016259, -0.000010176}, HOV = {106, 4.2811E+07, 1.2196, -2.6572, 3.1706, -1.3477}, VapCp = {16, 84263, -798.1, 12.945, -0.00018216, 3.6316E-08}, LiqVis = {101, -10.884, 730.8, -0.038881, 2.6764E-07, 2}, VapVis = {102, 1.9275E-07, 0.70897, 109.56, -107.54, 0}, LiqK = {16, -0.21567, 5.2547, -0.85956, -0.00045627, -9.7493E-07}, VapK = {102, 1.3675, -0.14071, 1446.2, 3030500, 0}, Racketparam = 0.269, UniquacR = 3.3941, UniquacQ = 3.012, ChaoSeadAF = 0.26555, ChaoSeadSP = 15160, ChaoSeadLV = 0.1046);
+end Methylisopropylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisopropylketone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisopropylketone.mo
new file mode 100644
index 0000000..0f4e085
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylisopropylketone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylisopropylketone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 112, name = "Methylisopropylketone", CAS = "563-80-4", Tc = 567.7, Pc = 3620000, Vc = 0.31, Cc = 0.238, Tb = 367.55, Tm = 180.15, TT = 180.15, TP = 0.295357, MW = 86.134, LVB = 0.10791, AF = 0.216, SP = 17710, DM = 9.21E-30, SH = -27600000.0, IGHF = -2.626E+08, GEF = -1.393E+08, AS = 369900, HFMP = 9343000, HOC = -2.877E+09, LiqDen = {105, 0.22922, 0.13849, 567.7, 0.18207, 0}, VP = {101, 57.033, -5794.3, -5.09, 0.0000023975, 2}, LiqCp = {16, 142840, 463.87, 4.1439, 0.020347, -0.000013989}, HOV = {106, 1.3282E+07, -7.596951, 21.963, -24.77369, 10.66731}, VapCp = {16, 65899, -628.39, 12.858, 0.000023331, -5.0246E-08}, LiqVis = {101, -11.042, 1043.1, -0.038423, 1.1535E-07, 2}, VapVis = {102, 1.5484E-07, 0.72865, 149.15, -3826.1, 0}, LiqK = {16, -0.11038, 18.412, -1.2824, -0.000057222, -0.000001541}, VapK = {102, -6058400, -0.090573, 3.176E+09, -2.84E+13, 0}, Racketparam = 0.259, UniquacR = 3.9215, UniquacQ = 3.412, ChaoSeadAF = 0.350039, ChaoSeadSP = 18253.3, ChaoSeadLV = 0.106975);
+end Methylisopropylketone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylmercaptan.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylmercaptan.mo
new file mode 100644
index 0000000..2974755
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylmercaptan.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylmercaptan
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 348, name = "Methylmercaptan", CAS = "74-93-1", Tc = 470, Pc = 7230000, Vc = 0.145, Cc = 0.268, Tb = 279.11, Tm = 150.18, TT = 150.18, TP = 3.14785, MW = 48.109, LVB = 0.05552, AF = 0.15, SP = 19470, DM = 5.07E-30, SH = -22600000.0, IGHF = -2.26E+07, GEF = -9920000, AS = 255000, HFMP = 5904000, HOC = -1.1517E+09, LiqDen = {105, 1.954, 0.28171, 470, 0.28737, 0}, VP = {101, 115.1598, -6300.053, -14.66478, 0.0000195265, 2}, LiqCp = {16, 87318, -59222, 550.29, -1.6599, 0.001702}, HOV = {106, 3.221375E+07, -0.00310105, 0.657759, -0.0249162, -0.340052}, VapCp = {16, 38535, -588.35, 11.232, 0.00044782, -1.6363E-07}, LiqVis = {101, -8.947, 607.01, -0.26447, 0.0000011807, 2}, VapVis = {102, 1.9969E-07, 0.74097, 130.67, -839.04, 0}, LiqK = {16, -0.011242, -11.424, -1.1701, -0.0017729, -0.0000012043}, VapK = {102, 0.000024689, 1.1702, 4.7184, 35466, 0}, Racketparam = 0.268, UniquacR = 1.877, UniquacQ = 1.676, ChaoSeadAF = 0, ChaoSeadSP = 0, ChaoSeadLV = 0);
+end Methylmercaptan;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylmethacrylate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylmethacrylate.mo
new file mode 100644
index 0000000..bb79c4d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylmethacrylate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylmethacrylate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 407, name = "Methylmethacrylate", CAS = "80-62-6", Tc = 563.15, Pc = 3670000, Vc = 0.324, Cc = 0.253, Tb = 374.15, Tm = 225.15, TT = 225.6, TP = 19.0855, MW = 100.116, LVB = 0.106736, AF = 0.280233, SP = 18530, DM = 6.57E-30, SH = -61100000.0, IGHF = -3.6E+08, GEF = -2.54E+08, AS = 401000, HFMP = 1.44348E+07, HOC = -2.54E+09, LiqDen = {105, 0.91648, 0.27205, 563.15, 0.3201, 0}, VP = {101, 129.5007, -8907.818, -16.17497, 0.000012098, 2}, LiqCp = {16, 45251, 733.56, 4.0201, 0.024183, -0.000020347}, HOV = {106, 5.397285E+07, -0.0862845, 1.857786, -2.127696, 0.775243}, VapCp = {16, 40862.92, -408.0793, 12.53452, 0.000265188, -1.105927E-07}, LiqVis = {101, -8.2342, 780.75, -0.30393, -0.0000019127, 2}, VapVis = {102, 4.0508E-07, 0.64362, 435.99, -25064, 0}, LiqK = {16, 0.093744, -51.297, -0.18289, -0.0078351, -0.0000030405}, VapK = {102, 0.0023506, 0.61168, 848.43, 252520, 0}, Racketparam = 0.253, UniquacR = 3.9215, UniquacQ = 3.564, ChaoSeadAF = 0.280233, ChaoSeadSP = 18530, ChaoSeadLV = 0.106736);
+end Methylmethacrylate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylnpropylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylnpropylether.mo
new file mode 100644
index 0000000..bfb965f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylnpropylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylnpropylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 327, name = "Methylnpropylether", CAS = "557-17-5", Tc = 472, Pc = 3801000, Vc = 0.274, Cc = 0.265, Tb = 312.29, Tm = 123.15, TT = 133.97, TP = 0.00289599, MW = 74.1216, LVB = 0.1032, AF = 0.276999, SP = 15730, DM = 4.14E-30, SH = -216400000.0, IGHF = -2.379E+08, GEF = -1.108E+08, AS = 352000, HFMP = 7670000, HOC = -2.517E+09, LiqDen = {105, 1.1427, 0.28927, 472, 0.3185, 0}, VP = {101, 59.81269, -4968.626, -5.703041, 3.962175E-06, 2}, LiqCp = {16, 136920, 43.97, 5.0864, 0.024992, -0.000027384}, HOV = {106, 4.425282E+07, 0.586164, -0.378014, 0.582618, -0.440041}, VapCp = {16, 93668, -926.82, 13.189, -0.0004818, 0.000000144}, LiqVis = {101, -11.301, 802.09, 0.054938, -4.1844E-07, 2}, VapVis = {102, 1.0896E-07, 0.78578, 98.829, -6562.3, 0}, LiqK = {16, -0.0079788, 3.9001, -1.4224, -0.0010693, -0.0000025315}, VapK = {102, 0.010718, 0.485, 2083.9, 283110, 0}, Racketparam = 0.265, UniquacR = 3.3949, UniquacQ = 3.016, ChaoSeadAF = 0.276999, ChaoSeadSP = 15730, ChaoSeadLV = 0.1032);
+end Methylnpropylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylnpropylsulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylnpropylsulfide.mo
new file mode 100644
index 0000000..747e29e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylnpropylsulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylnpropylsulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 355, name = "Methylnpropylsulfide", CAS = "3877-15-4", Tc = 552, Pc = 3800000, Vc = 0.322, Cc = 0.259, Tb = 368.69, Tm = 160.17, TT = 160.17, TP = 0.00425588, MW = 90.1872, LVB = 0.107699, AF = 0.356915, SP = 17710, DM = 5.5E-30, SH = -22600000.0, IGHF = -8.19E+07, GEF = 1.793E+07, AS = 371700, HFMP = 9912000, HOC = -2.962E+09, LiqDen = {105, 1.528, 0.35328, 552, 0.39953, 0}, VP = {101, 83.78969, -6786.538, -9.267875, 6.742312E-06, 2}, LiqCp = {16, 140680, 477.81, 3.8109, 0.020949, -0.000014877}, HOV = {106, 5.460643E+07, 0.610381, 0.183873, -0.864255, 0.448129}, VapCp = {16, 76201, -575.5, 12.472, 0.00030373, -1.0224E-07}, LiqVis = {101, -11.683, 983.43, 0.11996, -4.1262E-07, 2}, VapVis = {102, 5.4928E-08, 0.89154, 78.07, -5628.6, 0}, LiqK = {16, -0.062059, 3.0814, -1.3629, -0.00055214, -0.0000012783}, VapK = {102, 0.0023304, 0.67586, 1803.3, 153300, 0}, Racketparam = 0.259, UniquacR = 3.8629, UniquacQ = 3.296, ChaoSeadAF = 0.273669, ChaoSeadSP = 17710, ChaoSeadLV = 0.107699);
+end Methylnpropylsulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylpropionate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylpropionate.mo
new file mode 100644
index 0000000..227651d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methylpropionate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methylpropionate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 88, name = "Methylpropionate", CAS = "554-12-1", Tc = 530.6, Pc = 4000000, Vc = 0.282, Cc = 0.256, Tb = 352.6, Tm = 185.65, TT = 185.65, TP = 0.634091, MW = 88.106, LVB = 0.09693, AF = 0.349, SP = 18630, DM = 5.681E-30, SH = -17100000.0, IGHF = -4.275E+08, GEF = -3.11E+08, AS = 359600, HFMP = 1.01E+07, HOC = -2.078E+09, LiqDen = {105, 0.72945, 0.23284, 530.6, 0.24422, 0}, VP = {101, 91.97365, -7071.987, -10.4626, 7.767427E-06, 2}, LiqCp = {16, 140380, 1173.7, 0.81056, 0.020863, -0.000005642}, HOV = {106, 7.6303E+07, 2.9196, -6.5593, 6.8235, -2.6926}, VapCp = {16, 11365, -258.45, 12.315, 0.00033508, -7.4281E-08}, LiqVis = {101, -8.2868, 807.93, -0.36444, -0.0000010038, 2}, VapVis = {102, 3.2912E-07, 0.63237, 126.55, 15669, 0}, LiqK = {16, 0.034599, 27.577, -2.1207, 0.00098891, -0.0000051703}, VapK = {102, -197.62, -0.13413, 101740, -8.2156E+08, 0}, Racketparam = 0, UniquacR = 3.4786, UniquacQ = 3.116, ChaoSeadAF = 0.391, ChaoSeadSP = 18626.5, ChaoSeadLV = 0.0969396);
+end Methylpropionate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltbutylsulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltbutylsulfide.mo
new file mode 100644
index 0000000..ca44e24
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltbutylsulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methyltbutylsulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 356, name = "Methyltbutylsulfide", CAS = "6163-64-0", Tc = 585, Pc = 3400000, Vc = 0.37, Cc = 0.269, Tb = 372.048, Tm = 190.84, TT = 190.84, TP = 0.818336, MW = 104.214, LVB = 0.12697, AF = 0.107514, SP = 16230, DM = 5.2E-30, SH = -22600000.0, IGHF = -1.209E+08, GEF = 7400000, AS = 414300, HFMP = 8414000, HOC = -3.558E+09, LiqDen = {105, 0.0025324, 0.015967, 585, 0.080614, 0}, VP = {101, 84.46516, -6786.586, -9.396892, 6.668285E-06, 2}, LiqCp = {16, 141210, 178.65, 7.6994, 0.011393, -0.0000080501}, HOV = {106, 6.776086E+07, 2.156989, -4.009149, 3.630339, -1.236406}, VapCp = {16, 87862, -573.15, 12.832, 0.000097962, -4.8038E-08}, LiqVis = {101, -10.768, 996.37, 0.0046964, -1.0865E-08, 2}, VapVis = {102, 1.4934E-07, 0.74231, 170.99, -8263.5, 0}, LiqK = {16, -0.049324, -5.479, -1.3559, -0.00091706, -9.5073E-07}, VapK = {102, 0.00016838, 0.95767, 599.31, 12993, 0}, Racketparam = 0.269, UniquacR = 4.5358, UniquacQ = 3.912, ChaoSeadAF = 0.233365, ChaoSeadSP = 16230, ChaoSeadLV = 0.12697);
+end Methyltbutylsulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltertbutylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltertbutylether.mo
new file mode 100644
index 0000000..322e3f9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltertbutylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methyltertbutylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 192, name = "Methyltertbutylether", CAS = "1634-04-4", Tc = 497.1, Pc = 3430000, Vc = 0.329, Cc = 0.273, Tb = 328.35, Tm = 164.55, TT = 164.55, TP = 0.535656, MW = 88.1482, LVB = 0.119887, AF = 0.266059, SP = 15070, DM = 4.54E-30, SH = -168070000.0, IGHF = -2.835E+08, GEF = -1.175E+08, AS = 357800, HFMP = 7600000, HOC = -3.1049E+09, LiqDen = {105, 1.013, 0.29119, 513.95, 0.39929, 0}, VP = {101, 63.31041, -5322.676, -6.212745, 3.951136E-06, 2}, LiqCp = {16, 135550, -54.229, 8.6558, 0.010329, -0.0000078206}, HOV = {106, 7.685222E+07, 4.561833, -12.06881, 13.61234, -5.569118}, VapCp = {16, 89729, -682.14, 12.912, 0.000021441, -2.0192E-08}, LiqVis = {101, -7.136, 821.59, -0.64419, 4.8322E-07, 2}, VapVis = {102, 1.6185E-07, 0.73614, 130.03, -727.78, 0}, LiqK = {16, 0.073008, 306.73, -6.3111, 0.019235, -0.000037933}, VapK = {102, 0.00023034, 0.92128, 391.6, 80274, 0}, Racketparam = 0.267213, UniquacR = 4.0678, UniquacQ = 3.632, ChaoSeadAF = 0.266059, ChaoSeadSP = 15070, ChaoSeadLV = 0.119887);
+end Methyltertbutylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltertpentylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltertpentylether.mo
new file mode 100644
index 0000000..4bf09de
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltertpentylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methyltertpentylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 193, name = "Methyltertpentylether", CAS = "994-05-8", Tc = 534, Pc = 3040000, Vc = 0.386, Cc = 0.264, Tb = 359.51, Tm = 0, TT = 0, TP = 0, MW = 102.175, LVB = 0.133437, AF = 0.298071, SP = 15480, DM = 4.90339E-30, SH = -168070000.0, IGHF = -3.054E+08, GEF = -1.137E+08, AS = 408000, HFMP = 0, HOC = -3.71229E+09, LiqDen = {105, 0.68843, 0.26574, 534, 0.27067, 0}, VP = {101, 127.09, -8433.7, -15.94, 0.000013112, 2}, LiqCp = {16, 96936, -844.6, 17.426, -0.01423, 0.000014683}, HOV = {106, 6.112039E+07, 2.144847, -4.987322, 5.569725, -2.294462}, VapCp = {16, 86134, -503.3, 12.828, 0.00026316, -9.3404E-08}, LiqVis = {101, -11.271, 991.37, -0.019082, -2.1664E-08, 2}, VapVis = {102, 6.9893E-08, 0.83491, 61.227, -3034.8, 0}, LiqK = {16, -0.10613, 12.391, -1.3082, -0.00026248, -0.0000013654}, VapK = {102, 0.12493, 0.14978, 1706.4, 1349200, 0}, Racketparam = 0.264404, UniquacR = 4.7422, UniquacQ = 4.172, ChaoSeadAF = 0.298071, ChaoSeadSP = 15480, ChaoSeadLV = 0.133437);
+end Methyltertpentylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltoluene.mo
new file mode 100644
index 0000000..4b0f5ca
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methyltoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 283, name = "Methyltoluene", CAS = "620-14-4", Tc = 637.15, Pc = 2840000, Vc = 0.49, Cc = 0.254, Tb = 434.48, Tm = 177.61, TT = 177.61, TP = 0.000664959, MW = 120.192, LVB = 0.139685, AF = 0.3232, SP = 17630, DM = 1.1E-30, SH = -1209000000.0, IGHF = -1920000, GEF = 1.2643E+08, AS = 404280, HFMP = 7610000, HOC = -4.94377E+09, LiqDen = {105, 0.61007, 0.26045, 637.15, 0.2946, 0}, VP = {101, 59.906, -6895.5, -5.4176, 0.00000211, 2}, LiqCp = {16, 136340, -1484.6, 20.724, -0.020829, 0.000018949}, HOV = {106, 6.562712E+07, 1.251642, -2.311984, 2.123485, -0.635116}, VapCp = {16, 77831, -586.35, 13.16, 0.0000010287, -1.3417E-08}, LiqVis = {101, -10.732, 1285.7, -0.12931, 2.7444E-07, 2}, VapVis = {102, 4.7246E-07, 0.55389, 274.11, -5848.6, 0}, LiqK = {16, -0.048117, 4.2831, -1.5331, -0.00039971, -0.0000012216}, VapK = {102, 0.000091259, 1.0513, 653.39, 40428, 0}, Racketparam = 0.254, UniquacR = 5.3322, UniquacQ = 4.076, ChaoSeadAF = 0.3232, ChaoSeadSP = 17630, ChaoSeadLV = 0.139685);
+end Methyltoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltpentylsulfide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltpentylsulfide.mo
new file mode 100644
index 0000000..e56820e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Methyltpentylsulfide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Methyltpentylsulfide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 357, name = "Methyltpentylsulfide", CAS = "13286-92-5", Tc = 632, Pc = 3130000, Vc = 0.412, Cc = 0.259, Tb = 401.15, Tm = 195, TT = 195, TP = 0.0547032, MW = 118.24, LVB = 0.141236, AF = 0.283554, SP = 16850, DM = 5.2E-30, SH = -22600000.0, IGHF = -1.374E+08, GEF = 2.884E+07, AS = 422900, HFMP = 8320000, HOC = -4.171E+09, LiqDen = {105, 0.59566, 0.25918, 632, 0.28571, 0}, VP = {101, 71.41151, -7073.516, -7.244729, 3.628693E-06, 2}, LiqCp = {16, 181970, 283.58, 5.3016, 0.020294, -0.000016827}, HOV = {106, 5.4045E+07, 0.37325, 0, 0, 0}, VapCp = {16, 109660, -656.23, 13.164, -0.000084618, -5.7336E-09}, LiqVis = {101, -11.248, 1169.1, -0.00088104, 1.198E-09, 2}, VapVis = {102, 8.9322E-08, 0.79515, 142.11, -9151.1, 0}, LiqK = {16, -0.059845, -0.6973, -1.3681, -0.00062696, -0.0000008708}, VapK = {102, 0.00014528, 0.96627, 637.8, 13351, 0}, Racketparam = 0.259, UniquacR = 5.2102, UniquacQ = 4.452, ChaoSeadAF = 0.283554, ChaoSeadSP = 16850, ChaoSeadLV = 0.141236);
+end Methyltpentylsulfide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mnitrotoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mnitrotoluene.mo
new file mode 100644
index 0000000..1f0209b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mnitrotoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Mnitrotoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 386, name = "Mnitrotoluene", CAS = "99-08-1", Tc = 734, Pc = 3800000, Vc = 0.441, Cc = 0.275, Tb = 504, Tm = 288.65, TT = 289.2, TP = 6.84272, MW = 137.136, LVB = 0.118913, AF = 0.491987, SP = 21470, DM = 1.41E-29, SH = -22600000.0, IGHF = 2.58E+07, GEF = 1.502E+08, AS = 380800, HFMP = 1.406E+07, HOC = -3.5696E+09, LiqDen = {105, 0.50673, 0.22353, 734, 0.25642, 0}, VP = {101, 174.0974, -13266.49, -22.50751, 0.0000146534, 2}, LiqCp = {16, 165480, 678.6, 2.6976, 0.024579, -0.000018568}, HOV = {106, 1.23147E+08, 2.991682, -5.10633, 3.432299, -0.844633}, VapCp = {16, 126830, -1053.5, 13.982, -0.0011308, 3.2272E-07}, LiqVis = {101, -219.04, 9323.8, 32.506, -0.000040609, 2}, VapVis = {102, 3.6657E-08, 0.9283, 56.912, -1935.8, 0}, LiqK = {16, -0.16653, 2.5129, -1.0577, -0.0003596, -3.0249E-07}, VapK = {102, 0.00013182, 0.95336, 611.68, 32295, 0}, Racketparam = 0.275, UniquacR = 4.2801, UniquacQ = 3.272, ChaoSeadAF = 0.491987, ChaoSeadSP = 21470, ChaoSeadLV = 0.118913);
+end Mnitrotoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Monochlorobenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Monochlorobenzene.mo
new file mode 100644
index 0000000..cd756a9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Monochlorobenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Monochlorobenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 122, name = "Monochlorobenzene", CAS = "108-90-7", Tc = 632.4, Pc = 4520000, Vc = 0.308, Cc = 0.265, Tb = 404.91, Tm = 227.95, TT = 227.95, TP = 8.4456, MW = 112.558, LVB = 0.10222, AF = 0.251, SP = 19350, DM = 5.64E-30, SH = -168070000.0, IGHF = 5.109E+07, GEF = 9.829E+07, AS = 314030, HFMP = 9556000, HOC = -2.976E+09, LiqDen = {105, 0.78287, 0.25464, 632.4, 0.26342, 0}, VP = {101, 51.41334, -6020.539, -4.204143, 1.293848E-06, 2}, LiqCp = {16, 139150, -333.42, 10.906, -0.018036, 0.000054846}, HOV = {106, 4.9039E+07, 0.24473, -0.048652, 0.40537, -0.25012}, VapCp = {16, 74680, -1001.5, 13.827, -0.0014014, 4.6413E-07}, LiqVis = {101, 0.029483, 556.49, -1.5963, 1.2171E-07, 2}, VapVis = {102, 1.1217E-07, 0.79382, 109.37, 1134.4, 0}, LiqK = {16, 0.083427, -157.94, -0.89724, -0.0049259, -0.0000027589}, VapK = {102, 0.0004167, 0.92033, 1902.9, 123750, 0}, Racketparam = 0, UniquacR = 3.79, UniquacQ = 2.84, ChaoSeadAF = 0.2459, ChaoSeadSP = 19345.3, ChaoSeadLV = 0.10229);
+end Monochlorobenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Monoethanolamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Monoethanolamine.mo
new file mode 100644
index 0000000..32a078d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Monoethanolamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Monoethanolamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 367, name = "Monoethanolamine", CAS = "141-43-5", Tc = 671.4, Pc = 8030000, Vc = 0.225, Cc = 0.284, Tb = 444.15, Tm = 283.65, TT = 283.65, TP = 13.3683, MW = 61.0831, LVB = 0.0603415, AF = 0.550815, SP = 31830, DM = 2.59E-30, SH = -22600000.0, IGHF = -1.96E+08, GEF = -1.033E+08, AS = 320000, HFMP = 2.0496E+07, HOC = -1.363E+09, LiqDen = {105, 0.648, 0.18183, 678.21, 0.17947, 0}, VP = {10, 23.09274, 4319.625, -69.95024, 0, 0}, LiqCp = {4, 78653.42, 311.4162, -0.0607137, -2.713217E-06, -0.000017988}, HOV = {106, 1.012031E+08, 1.976961, -4.399887, 4.906054, -1.945886}, VapCp = {16, 50668, -516.86, 12.167, 0.00008641, 2.8656E-10}, LiqVis = {101, -370.3, 17780, 54.624, -0.000051065, 2}, VapVis = {102, 5.78881E-08, 0.876532, 75.00276, 628.0161, 0}, LiqK = {16, -0.37218, 78.8, -1.5916, 0.0043895, -0.0000053291}, VapK = {102, -9539.9, 0.39852, -1.7433E+09, -6.3715E+10, 0}, Racketparam = 0.284, UniquacR = 3.0436, UniquacQ = 2.976, ChaoSeadAF = 0.446737, ChaoSeadSP = 31830, ChaoSeadLV = 0.0603415);
+end Monoethanolamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mxylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mxylene.mo
new file mode 100644
index 0000000..67e1aa1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Mxylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Mxylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 150, name = "Mxylene", CAS = "108-38-3", Tc = 617, Pc = 3541000, Vc = 0.375, Cc = 0.259, Tb = 412.34, Tm = 225.3, TT = 225.3, TP = 3.18019, MW = 106.167, LVB = 0.12347, AF = 0.327, SP = 18050, DM = 1.0E-30, SH = -168070000.0, IGHF = 1.732E+07, GEF = 1.1876E+08, AS = 358540, HFMP = 1.157E+07, HOC = -4.3318E+09, LiqDen = {105, 0.68902, 0.26086, 617, 0.27479, 0}, VP = {101, 97.968, -8164.7, -11.269, 0.0000072101, 2}, LiqCp = {16, 127090, -62.999, 9.3762, 0.0068549, -0.0000032778}, HOV = {106, 5.9562E+07, 0.67841, -0.38938, 0.0061115, 0.10219}, VapCp = {16, 62092, -572.21, 12.975, 0.000062577, -3.7811E-08}, LiqVis = {101, -13.362, 1141.4, 0.37182, -3.9423E-07, 2}, VapVis = {102, 7.2954E-08, 0.8097, 14.386, 8844.3, 0}, LiqK = {16, -0.021158, -27.324, -1.2663, -0.0016664, -3.6744E-07}, VapK = {102, 2.8001E-09, 2.4298, -575.12, 122260, 0}, Racketparam = 0.2593, UniquacR = 4.66, UniquacQ = 3.54, ChaoSeadAF = 0.3045, ChaoSeadSP = 18041.31, ChaoSeadLV = 0.1235);
+end Mxylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Naminoethylethanolamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Naminoethylethanolamine.mo
new file mode 100644
index 0000000..8a2133a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Naminoethylethanolamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Naminoethylethanolamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 374, name = "Naminoethylethanolamine", CAS = "111-41-1", Tc = 698, Pc = 4460000, Vc = 0.387, Cc = 0.252, Tb = 517, Tm = 0, TT = 0, TP = 0, MW = 104.151, LVB = 0.101519, AF = 1.04726, SP = 29230, DM = 0, SH = -22600000.0, IGHF = -1.91E+08, GEF = 3810000, AS = 447000, HFMP = 0, HOC = -2.74E+09, LiqDen = {105, 0.76828, 0.25238, 698, 0.28565, 0}, VP = {101, 214.43, -18769, -27.15, 0.00001141, 2}, LiqCp = {16, 65604, -121.74, 11.802, 0.0023485, -7.9478E-07}, HOV = {106, 1.2005E+08, 0.3465, 0.971, -1.7132, 0.81091}, VapCp = {16, 75533, -495.37, 12.77, 0.00015714, -4.9852E-08}, LiqVis = {101, -27.66295, 5326.5, 1.362383, -1.706454E-06, 2}, VapVis = {102, 1.2606E-07, 0.76222, 173.4, -8594.2, 0}, LiqK = {16, -0.1257, -10.607, -0.88928, -0.00060102, -5.9478E-07}, VapK = {102, 0.00019261, 0.93731, 615.43, 23918, 0}, Racketparam = 0.252, UniquacR = 4.925, UniquacQ = 4.452, ChaoSeadAF = 1.04726, ChaoSeadSP = 29230, ChaoSeadLV = 0.101519);
+end Naminoethylethanolamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Naminoethylpiperazine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Naminoethylpiperazine.mo
new file mode 100644
index 0000000..073fb91
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Naminoethylpiperazine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Naminoethylpiperazine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 372, name = "Naminoethylpiperazine", CAS = "140-31-8", Tc = 708, Pc = 3850000, Vc = 0.475, Cc = 0.266, Tb = 495.15, Tm = 254.15, TT = 254.15, TP = 0.0694812, MW = 129.203, LVB = 0.132257, AF = 0.557243, SP = 21520, DM = 0, SH = -22600000.0, IGHF = 2.51E+07, GEF = 2.79E+08, AS = 451000, HFMP = 0, HOC = -4.135E+09, LiqDen = {105, 0.66681, 0.27137, 708, 0.27214, 0}, VP = {101, 127.7429, -12067.23, -15.04915, 6.424073E-06, 2}, LiqCp = {16, 259220, 331.04, 3.608, 0.023605, -0.000018248}, HOV = {106, 9.785579E+07, 0.814708, 0.0237006, -0.690218, 0.260899}, VapCp = {16, 70888, -450.73, 13.066, 0.00018285, -6.5268E-08}, LiqVis = {101, -497.9054, 22666.52, 74.36022, -0.0000702789, 2}, VapVis = {102, 7.7705E-08, 0.8233, 132.06, -8963.7, 0}, LiqK = {16, -0.089882, -7.0061, -1.0711, -0.00065668, -0.0000005629}, VapK = {102, 0.00012973, 0.99814, 630.8, 21962, 0}, Racketparam = 0.266, UniquacR = 5.5591, UniquacQ = 4.424, ChaoSeadAF = 0.557243, ChaoSeadSP = 21520, ChaoSeadLV = 0.132257);
+end Naminoethylpiperazine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Naphthalene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Naphthalene.mo
new file mode 100644
index 0000000..cfb53bc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Naphthalene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Naphthalene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 167, name = "Naphthalene", CAS = "91-20-3", Tc = 748.4, Pc = 4050000, Vc = 0.407, Cc = 0.265, Tb = 491.16, Tm = 353.434, TT = 353.43, TP = 991.297, MW = 128.174, LVB = 0.12913, AF = 0.304, SP = 19490, DM = 0, SH = -168070000.0, IGHF = 1.5058E+08, GEF = 2.2408E+08, AS = 333150, HFMP = 1.898E+07, HOC = -4.9809E+09, LiqDen = {105, 0.45282, 0.21953, 748.4, 0.23236, 0}, VP = {101, 93.15947, -9448.063, -10.23844, 4.335455E-06, 2}, LiqCp = {16, 149170, 579.65, 3.8152, 0.021624, -0.000015657}, HOV = {106, 7.732822E+07, 1.116621, -1.313575, 0.672121, -0.00584514}, VapCp = {16, 49831, -547.92, 13.201, -0.00013999, 2.8208E-08}, LiqVis = {101, -8.2151, 1338.2, -0.46592, 0.00000135, 2}, VapVis = {102, 1.2323E-08, 1.0475, -162.06, 35144, 0}, LiqK = {16, 0.033214, -361.89, -0.012818, -0.0040236, 0.0000012782}, VapK = {102, 0.000017754, 1.2123, 69.759, 78517, 0}, Racketparam = 0.261, UniquacR = 4.920237, UniquacQ = 3.368, ChaoSeadAF = 0.302, ChaoSeadSP = 19187.5, ChaoSeadLV = 0.130825);
+end Naphthalene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutane.mo
new file mode 100644
index 0000000..69d6a45
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nbutane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 92, name = "Nbutane", CAS = "106-97-8", Tc = 425.12, Pc = 3796000, Vc = 0.255, Cc = 0.274, Tb = 272.66, Tm = 134.86, TT = 134.86, TP = 0.67358, MW = 58.123, LVB = 0.10048, AF = 0.199, SP = 13510, DM = 0, SH = -125790000.0, IGHF = -1.2579E+08, GEF = -1.67E+07, AS = 309910, HFMP = 4661000, HOC = -2.65732E+09, LiqDen = {105, 1.0023, 0.26457, 425.17, 0.27138, 0}, VP = {101, 68.5773, -4444.916, -7.395837, 9.857432E-06, 2}, LiqCp = {16, 115150, -3564.7, 41.067, -0.098803, 0.0001183}, HOV = {106, 3.6258E+07, 0.83741, -0.83676, 0.41526, -0.007606}, VapCp = {16, 44749.95, -338.1412, 11.81452, 0.00097744, -3.359129E-07}, LiqVis = {101, -46.56549, 1439.945, 6.168131, -0.000023917, 2}, VapVis = {102, 2.7078E-08, 0.97147, -51.16, 6431, 0}, LiqK = {16, 0.00024966, -43.155, -0.78129, -0.0043776, -4.136E-08}, VapK = {102, 0.042635, 0.45147, 4234, 1756600, 0}, Racketparam = 0.2728, UniquacR = 3.151, UniquacQ = 2.776, ChaoSeadAF = 0.1953, ChaoSeadSP = 13766.21, ChaoSeadLV = 0.1014);
+end Nbutane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylacetate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylacetate.mo
new file mode 100644
index 0000000..2dfd14a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylacetate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nbutylacetate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 336, name = "Nbutylacetate", CAS = "123-86-4", Tc = 579, Pc = 3090000, Vc = 0.4128, Cc = 0.253, Tb = 399.12, Tm = 199.65, TT = 199.65, TP = 0.0816516, MW = 116.16, LVB = 0.13251, AF = 0.407, SP = 17670, DM = 6.14E-30, SH = -216400000.0, IGHF = -4.856E+08, GEF = -3.123E+08, AS = 442500, HFMP = 1.44E+07, HOC = -3.283E+09, LiqDen = {105, 0.13588, 0.1193, 579, 0.16305, 0}, VP = {101, 90.42793, -7625.342, -10.22284, 8.987208E-06, 2}, LiqCp = {16, 201710, -19.025, 8.0191, 0.0068889, 0.0000021505}, HOV = {106, 8.192574E+07, 1.151594, 0.0889674, -1.859865, 1.113952}, VapCp = {16, 92876, -666.17, 13.432, -0.00066148, 3.0678E-07}, LiqVis = {101, -17.008, 1461.1, 0.8424, 1.1193E-07, 2}, VapVis = {102, 1.0488E-07, 0.76809, 52.337, 8271.1, 0}, LiqK = {16, 0.04366, -125.65, -0.40686, -0.0059305, 0.0000024167}, VapK = {102, 5.9364E-09, 2.3739, -402.22, 69606, 0}, Racketparam = 0.253, UniquacR = 4.8274, UniquacQ = 4.196, ChaoSeadAF = 0.407, ChaoSeadSP = 17670, ChaoSeadLV = 0.13251);
+end Nbutylacetate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylbenzene.mo
new file mode 100644
index 0000000..b4359a1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nbutylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 171, name = "Nbutylbenzene", CAS = "104-51-8", Tc = 660.5, Pc = 2890000, Vc = 0.497, Cc = 0.262, Tb = 456.42, Tm = 185.3, TT = 185.3, TP = 0.000154386, MW = 134.221, LVB = 0.15678, AF = 0.393, SP = 17510, DM = 1.23E-30, SH = -168070000.0, IGHF = -1.314E+07, GEF = 1.454E+08, AS = 439490, HFMP = 1.122E+07, HOC = -5.5644E+09, LiqDen = {105, 0.50648, 0.25203, 660.5, 0.29203, 0}, VP = {101, 100.11, -9186.6, -11.379, 0.0000058585, 2}, LiqCp = {16, 173590, 115.14, 7.4501, 0.014631, -0.000011875}, HOV = {106, 6.5698E+07, 0.30842, 0.67062, -1.1135, 0.53276}, VapCp = {16, 97423, -619.62, 13.35, -0.000032816, -9.3502E-09}, LiqVis = {101, -18.829, 1737.7, 1.0385, 0.0000015468, 2}, VapVis = {102, 3.4687E-07, 0.59512, 233.67, 177.63, 0}, LiqK = {16, 0.081204, 245.71, -5.5946, 0.01322, -0.00002506}, VapK = {102, 0.19225, -0.0011093, -156.74, 1712400, 0}, Racketparam = 0, UniquacR = 5.946, UniquacQ = 4.588, ChaoSeadAF = 0.3923, ChaoSeadSP = 17450.9, ChaoSeadLV = 0.156494);
+end Nbutylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylcyclohexane.mo
new file mode 100644
index 0000000..14bf8ee
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nbutylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 172, name = "Nbutylcyclohexane", CAS = "1678-93-9", Tc = 667, Pc = 2570000, Vc = 0.534, Cc = 0.247, Tb = 454.131, Tm = 198.42, TT = 198.42, TP = 0.00365804, MW = 140.266, LVB = 0.176266, AF = 0.274326, SP = 16400, DM = 0, SH = -168070000.0, IGHF = -2.1317E+08, GEF = 5.654E+07, AS = 458480, HFMP = 1.416E+07, HOC = -6.0902E+09, LiqDen = {105, 0.49786, 0.26572, 667, 0.30254, 0}, VP = {101, 82.702, -8417.7, -8.6968, 0.0000027713, 2}, LiqCp = {16, 117850, 44.861, 10.356, 0.0053947, -0.0000020204}, HOV = {106, 7.7656E+07, 1.637, -3.3269, 3.6698, -1.48}, VapCp = {16, 145450, -890.37, 14.241, -0.0007098, 2.1101E-07}, LiqVis = {101, -66.15115, 3536.438, 8.46644, -7.612217E-06, 2}, VapVis = {102, 5.6992E-07, 0.52089, 326.29, -3328.7, 0}, LiqK = {16, -0.040753, 3.9448, -1.6588, -0.00045987, -0.0000010215}, VapK = {102, 0.000063509, 1.1032, 470.22, 42922, 0}, Racketparam = 0, UniquacR = 6.7432, UniquacQ = 5.396, ChaoSeadAF = 0.3618, ChaoSeadSP = 16411.2, ChaoSeadLV = 0.176266);
+end Nbutylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylcyclopentane.mo
new file mode 100644
index 0000000..1d3a35d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nbutylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 273, name = "Nbutylcyclopentane", CAS = "2040-95-1", Tc = 621, Pc = 2710000, Vc = 0.482, Cc = 0.254, Tb = 429.75, Tm = 165.165, TT = 165.18, TP = 0.0000370087, MW = 126.239, LVB = 0.161572, AF = 0.37188, SP = 16390, DM = 0, SH = -1209000000.0, IGHF = -1.683E+08, GEF = 6.217E+07, AS = 453800, HFMP = 1.131E+07, HOC = -5.5037E+09, LiqDen = {105, 0.55321, 0.26684, 621, 0.28873, 0}, VP = {101, 59.57026, -7247.203, -5.051393, -2.973642E-06, 2}, LiqCp = {16, 165400, 317.8, 5.7051, 0.0202, -0.000017103}, HOV = {106, 5.633912E+07, -0.222347, 2.054738, -2.396364, 0.924309}, VapCp = {16, 82154, -554.7, 13.299, 0.00015408, -5.7536E-08}, LiqVis = {101, -10.446, 1200.4, -0.12541, 4.6316E-07, 2}, VapVis = {102, 0.0000029081, 0.33269, 700.46, -5220.4, 0}, LiqK = {16, -0.059329, 3.6894, -1.5397, -0.00046539, -0.0000010217}, VapK = {102, 0.001615, 0.65033, 212.05, 447790, 0}, Racketparam = 0.254, UniquacR = 6.068799, UniquacQ = 4.856, ChaoSeadAF = 0.37188, ChaoSeadSP = 16390, ChaoSeadLV = 0.161572);
+end Nbutylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutyricacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutyricacid.mo
new file mode 100644
index 0000000..4101cd1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nbutyricacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nbutyricacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 86, name = "Nbutyricacid", CAS = "107-92-6", Tc = 624, Pc = 4030000, Vc = 0.292, Cc = 0.227, Tb = 436.87, Tm = 267.95, TT = 267.95, TP = 10.3, MW = 88.106, LVB = 0.09246, AF = 0.72, SP = 20180, DM = 5.5E-30, SH = -17100000.0, IGHF = -4.758E+08, GEF = -3.6E+08, AS = 360100, HFMP = 1.159E+07, HOC = -2.008E+09, LiqDen = {105, 0.702, 0.22902, 628.16, 0.24275, 0}, VP = {101, 54.31047, -7692.649, -4.148708, 2.624319E-07, 2}, LiqCp = {16, 135560, 664.7, 1.9592, 0.027685, -0.000020111}, HOV = {106, 5.1387E+07, 1.1517, -2.7656, 2.6617, -0.66983}, VapCp = {16, 75565, -613.25, 12.671, -0.000058773, -2.4845E-08}, LiqVis = {101, 14.241, 534.99, -4.0411, 0.0000053437, 2}, VapVis = {102, 2.2745E-08, 1.0055, 13.097, 182.58, 0}, LiqK = {16, -0.043955, 57.698, -1.8847, 0.00050649, -0.0000013441}, VapK = {102, 0.00010747, 1.3444, 19634, -7296600, 0}, Racketparam = 0, UniquacR = 3.5512, UniquacQ = 3.152, ChaoSeadAF = 0.683, ChaoSeadSP = 20262.7, ChaoSeadLV = 0.0924567);
+end Nbutyricacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ndecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ndecane.mo
new file mode 100644
index 0000000..75d986c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ndecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ndecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 173, name = "Ndecane", CAS = "124-18-5", Tc = 617.7, Pc = 2110000, Vc = 0.624, Cc = 0.256, Tb = 447.3, Tm = 243.51, TT = 243.51, TP = 1.39297, MW = 142.285, LVB = 0.19595, AF = 0.491, SP = 15720, DM = 0, SH = -168070000.0, IGHF = -2.4946E+08, GEF = 3.318E+07, AS = 545700, HFMP = 2.871E+07, HOC = -6.29422E+09, LiqDen = {105, 0.37424, 0.2405, 617.7, 0.27182, 0}, VP = {101, 6.023802, -5713.196, 3.410225, -0.000012633, 2}, LiqCp = {16, 160660, 291.43, 8.5687, 0.0098408, -0.0000060811}, HOV = {106, 5.7689E+07, -1.1412, 5.1463, -6.2946, 2.6623}, VapCp = {16, 152020, -697.29, 13.714, -0.00021747, 4.9426E-08}, LiqVis = {101, -102.98, 4517.9, 14.495, -0.00002056, 2}, VapVis = {102, 2.3638E-08, 0.95886, 24.698, 7541.9, 0}, LiqK = {16, 0.071684, -217.03, -0.47424, -0.0039028, -0.0000049442}, VapK = {102, -668.49, 0.93224, -4.0687E+09, -1.0176E+09, 0}, Racketparam = 0.2503, UniquacR = 7.2, UniquacQ = 6.02, ChaoSeadAF = 0.4869, ChaoSeadSP = 15791.26, ChaoSeadLV = 0.196);
+end Ndecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ndocosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ndocosane.mo
new file mode 100644
index 0000000..c940ae2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ndocosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ndocosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 209, name = "Ndocosane", CAS = "629-97-0", Tc = 808.83, Pc = 1339000, Vc = 1.252, Cc = 0.209, Tb = 641.75, Tm = 318.25, TT = 317.15, TP = 0.00359575, MW = 310.601, LVB = 0.393226, AF = 0.973, SP = 15800, DM = 0, SH = -1209000000.0, IGHF = -4.985E+08, GEF = 1.307E+08, AS = 1019000, HFMP = 4.8953E+07, HOC = -1.357E+10, LiqDen = {105, 0.00088994, 0.017172, 808.83, 0.094179, 0}, VP = {101, 270.663, -22731.61, -35.81794, 0.0000193308, 2}, LiqCp = {16, 94846, -114.81, 13.466, 0.000531, 3.3532E-07}, HOV = {106, 1.5383E+08, 1.0955, -1.2067, 1.3977, -0.85529}, VapCp = {16, 291820, -567.43, 14.157, 0.00012912, -4.9166E-08}, LiqVis = {101, -27.314, 2728.1, 2.3358, -0.0000013135, 2}, VapVis = {102, 2.8858E-07, 0.62154, 714.54, 4582.3, 0}, LiqK = {16, -0.148, -22.716, -0.91136, -0.00059496, -3.4759E-07}, VapK = {102, -270.77, 1.0546, -5.8977E+09, -1.0935E+11, 0}, Racketparam = 0.209, UniquacR = 15.2902, UniquacQ = 12.496, ChaoSeadAF = 0.973, ChaoSeadSP = 15800, ChaoSeadLV = 0.393226);
+end Ndocosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ndodecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ndodecane.mo
new file mode 100644
index 0000000..5940462
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ndodecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ndodecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 179, name = "Ndodecane", CAS = "112-40-3", Tc = 658, Pc = 1820000, Vc = 0.754, Cc = 0.251, Tb = 489.48, Tm = 263.568, TT = 263.568, TP = 0.615203, MW = 170.338, LVB = 0.22859, AF = 0.571, SP = 15930, DM = 0, SH = -168070000.0, IGHF = -2.9072E+08, GEF = 4.981E+07, AS = 624150, HFMP = 3.684E+07, HOC = -7.51368E+09, LiqDen = {105, 0.30334, 0.23617, 658, 0.2706, 0}, VP = {101, 127.8877, -11582.12, -15.22541, 6.680034E-06, 2}, LiqCp = {16, 203950, 627.31, 6.2796, 0.014676, -0.0000079758}, HOV = {106, 9.812979E+07, 0.939672, -0.0412509, -0.949322, 0.501567}, VapCp = {16, 193680, -732.61, 13.902, -0.00022284, 6.2257E-08}, LiqVis = {101, -83.21108, 4238.311, 11.14639, -0.0000124656, 2}, VapVis = {102, 5.4481E-08, 0.85223, 245.71, -11928, 0}, LiqK = {16, 0.029364, -108.04, -0.7007, -0.0040791, 6.1377E-07}, VapK = {102, 0.0000055504, 1.4726, 558.15, 3563.6, 0}, Racketparam = 0.2466, UniquacR = 8.5462, UniquacQ = 7.096, ChaoSeadAF = 0.561, ChaoSeadSP = 16036.72, ChaoSeadLV = 0.2286);
+end Ndodecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Neicosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Neicosane.mo
new file mode 100644
index 0000000..1b87710
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Neicosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Neicosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 430, name = "Neicosane", CAS = "112-95-8", Tc = 767, Pc = 1160000, Vc = 1.19, Cc = 0.213, Tb = 616.95, Tm = 309.58, TT = 309.58, TP = 0.00925737, MW = 282.547, LVB = 0.360385, AF = 0.9065, SP = 16000, DM = 0, SH = 28500000.0, IGHF = -4.5576E+08, GEF = 1.157E+08, AS = 934120, HFMP = 7.03E+07, HOC = -1.239199E+10, LiqDen = {105, 0.18166, 0.23351, 768, 0.28571, 0}, VP = {101, 164.6909, -17503.89, -19.74205, 5.399206E-06, 2}, LiqCp = {100, 352720, 807.32, 0.2122, 0, 0}, HOV = {106, 1.286E+08, 0.50351, 0.32986, -0.42184, 0}, VapCp = {107, 324810, 1109000, 1636, 745000, 726.27}, LiqVis = {101, -10.5557, 1830.385, -0.148602, -7.471032E-06, -7.49069E-06}, VapVis = {102, 2.9236E-07, 0.62458, 702.84, 0, 0}, LiqK = {100, 0.2178, -0.0002233, 0, 0, 0}, VapK = {102, -375.32, 1.0708, -8.7836E+09, 0, 0}, Racketparam = 0, UniquacR = 13.9414, UniquacQ = 11.416, ChaoSeadAF = 0.9065, ChaoSeadSP = 16000, ChaoSeadLV = 0.360385);
+end Neicosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Neon.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Neon.mo
new file mode 100644
index 0000000..7646be5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Neon.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Neon
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 17, name = "Neon", CAS = "7440-01-9", Tc = 44.4, Pc = 2653000, Vc = 0.0417, Cc = 0.3, Tb = 27.09, Tm = 24.55, TT = 24.56, TP = 43300, MW = 20.1797, LVB = 0.0167622, AF = -0.0395988, SP = 9440, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 146219, HFMP = 328100, HOC = 0, LiqDen = {105, 7.3718, 0.3067, 44.4, 0.2786, 0}, VP = {101, 29.459, -269.41, -2.5349, 0.00051726, 2}, LiqCp = {16, 29948, -243.96, 32.083, -0.79445, 0.01023}, HOV = {106, 1420900, -0.63029, -0.0022325, 1.6268, -0.7611}, VapCp = {16, 20786, -1728.5, -21.855, 0.0020512, 2.1139E-07}, LiqVis = {101, -83.002, 434.94, 18.35, -0.0034996, 2}, VapVis = {102, 7.6731E-07, 0.65634, 5.8941, 175.84, 0}, LiqK = {16, -0.49811, -1.8025, -0.49257, 0.0090166, -0.00024023}, VapK = {102, 0.0011717, 0.66099, 12.109, -70.155, 0}, Racketparam = 0, UniquacR = 0.680949, UniquacQ = 0.776, ChaoSeadAF = -0.0413762, ChaoSeadSP = 9417.34, ChaoSeadLV = 0.0167622);
+end Neon;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Neopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Neopentane.mo
new file mode 100644
index 0000000..5dfbab7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Neopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Neopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 116, name = "Neopentane", CAS = "463-82-1", Tc = 433.75, Pc = 3199000, Vc = 0.3032, Cc = 0.269, Tb = 282.65, Tm = 256.6, TT = 256.6, TP = 35745.2, MW = 72.15, LVB = 0.12216, AF = 0.197, SP = 12510, DM = 0, SH = -168070000.0, IGHF = -1.6807E+08, GEF = -1.714E+07, AS = 305890, HFMP = 3146000, HOC = -3.25039E+09, LiqDen = {105, 0.90246, 0.2775, 433.8, 0.29085, 0}, VP = {101, 85.887, -5169, -10.119, 0.000013061, 2}, LiqCp = {16, 116590, 146.32, 1.9197, 0.044936, -0.000054657}, HOV = {106, 3.3957E+07, 0.38208, 0, 0, 0}, VapCp = {16, 31525, -309.56, 12.21, 0.00085791, -2.6395E-07}, LiqVis = {101, -36.861, 2459.5, 3.4416, 0.0000070474, 2}, VapVis = {102, 8.1019E-07, 0.5294, 468.47, -22580, 0}, LiqK = {16, 0.027667, -243.53, 0.83395, -0.010754, 0.0000058849}, VapK = {102, 0.0000044729, 1.4644, -142.95, 66180, 0}, Racketparam = 0.2762, UniquacR = 3.8239, UniquacQ = 3.392, ChaoSeadAF = 0.195, ChaoSeadSP = 14359.41, ChaoSeadLV = 0.1233);
+end Neopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheneicosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheneicosane.mo
new file mode 100644
index 0000000..15ef270
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheneicosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nheneicosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 208, name = "Nheneicosane", CAS = "629-94-7", Tc = 798.64, Pc = 1391000, Vc = 1.197, Cc = 0.211, Tb = 629.65, Tm = 313.65, TT = 313.35, TP = 0.00621532, MW = 296.574, LVB = 0.376581, AF = 0.942004, SP = 15900, DM = 0, SH = -1209000000.0, IGHF = -4.778E+08, GEF = 1.229E+08, AS = 985000, HFMP = 4.7698E+07, HOC = -1.296E+10, LiqDen = {105, 0.0010945, 0.018629, 798.64, 0.095543, 0}, VP = {101, 107.2451, -14833.82, -11.21418, 3.606473E-07, 2}, LiqCp = {16, 268470, 50.971, 11.858, 0.0031331, -0.0000010628}, HOV = {106, 2.0592E+08, 3.1557, -6.6833, 7.1267, -3.099}, VapCp = {16, 253120, -507.31, 13.984, 0.00027572, -9.6316E-08}, LiqVis = {101, -25.108, 2540.9, 2.0324, -0.0000013549, 2}, VapVis = {102, 2.9575E-07, 0.62136, 718.74, 3255.3, 0}, LiqK = {16, -0.22263, 31.196, -1.0701, 0.0001617, -7.0064E-07}, VapK = {102, -237.86, 1.0527, -4.9708E+09, -8.9521E+10, 0}, Racketparam = 0.211, UniquacR = 14.6158, UniquacQ = 11.956, ChaoSeadAF = 0.942004, ChaoSeadSP = 15900, ChaoSeadLV = 0.376581);
+end Nheneicosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheptacosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheptacosane.mo
new file mode 100644
index 0000000..56e4525
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheptacosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nheptacosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 214, name = "Nheptacosane", CAS = "593-49-7", Tc = 826, Pc = 883000, Vc = 1.58, Cc = 0.203, Tb = 695.25, Tm = 332.65, TT = 332.15, TP = 0.000283125, MW = 380.734, LVB = 0.48815, AF = 1.21357, SP = 15810, DM = 0, SH = -1209000000.0, IGHF = -6.021E+08, GEF = 1.716E+08, AS = 1216000, HFMP = 6.0417E+07, HOC = -1.66E+10, LiqDen = {105, 0.13373, 0.23061, 826, 0.29272, 0}, VP = {101, 254.28, -25266, -32.268, 0.0000098574, 2}, LiqCp = {16, 287690, -499.88, 15.238, -0.0020847, 0.000001614}, HOV = {106, 1.738E+08, 0.55455, 0.6619, -1.1864, 0.39235}, VapCp = {16, 324210, -507.11, 14.235, 0.00027032, -9.4813E-08}, LiqVis = {101, -11.337, 2071.7, -0.014083, 1.056E-08, 2}, VapVis = {102, 2.7943E-07, 0.60493, 599.04, 42458, 0}, LiqK = {16, -0.12846, 8.4662, -1.1232, -0.00036291, -3.8993E-07}, VapK = {102, -177.26, 1.0676, -4.7446E+09, -7.2852E+10, 0}, Racketparam = 0.203, UniquacR = 18.6622, UniquacQ = 15.196, ChaoSeadAF = 1.21357, ChaoSeadSP = 15810, ChaoSeadLV = 0.48815);
+end Nheptacosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheptadecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheptadecane.mo
new file mode 100644
index 0000000..bd752e7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheptadecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nheptadecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 205, name = "Nheptadecane", CAS = "629-78-7", Tc = 736, Pc = 1340000, Vc = 1.103, Cc = 0.242, Tb = 574.56, Tm = 295.127, TT = 295.134, TP = 0.0465559, MW = 240.473, LVB = 0.31045, AF = 0.762, SP = 16100, DM = 0, SH = -1209000000.0, IGHF = -3.939E+08, GEF = 9.083E+07, AS = 820230, HFMP = 4.0459E+07, HOC = -1.05618E+10, LiqDen = {105, 0.1972, 0.22446, 736, 0.27261, 0}, VP = {101, 230.4768, -19512.15, -29.73776, 0.0000119109, 2}, LiqCp = {16, 341660, -48.077, 11.234, 0.0041437, -0.0000017269}, HOV = {106, 1.1837E+08, 0.45937, 1.0501, -1.8353, 0.77357}, VapCp = {16, 247870, -663.74, 14.166, -0.00017722, 5.7891E-08}, LiqVis = {101, -77.193, 4597, 9.9892, -0.0000084702, 2}, VapVis = {102, 3.2694E-07, 0.5961, 448.22, 45523, 0}, LiqK = {16, -0.015537, -239.33, 0.042685, -0.0038367, 8.6547E-07}, VapK = {102, -115.33, 1.0524, -2.1515E+09, -1.3137E+10, 0}, Racketparam = 0.242, UniquacR = 11.9182, UniquacQ = 9.796, ChaoSeadAF = 0.762, ChaoSeadSP = 16100, ChaoSeadLV = 0.31045);
+end Nheptadecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheptane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheptane.mo
new file mode 100644
index 0000000..e43fcdf
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nheptane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nheptane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 147, name = "Nheptane", CAS = "142-82-5", Tc = 540.2, Pc = 2740000, Vc = 0.428, Cc = 0.261, Tb = 371.57, Tm = 182.57, TT = 182.57, TP = 0.182694, MW = 100.204, LVB = 0.14747, AF = 0.35, SP = 15240, DM = 0, SH = -168070000.0, IGHF = -1.8765E+08, GEF = 8165000, AS = 427980, HFMP = 1.405E+07, HOC = -4.46473E+09, LiqDen = {105, 0.57043, 0.25304, 540.2, 0.27335, 0}, VP = {101, 89.80457, -7084.845, -10.17918, 7.441708E-06, 2}, LiqCp = {16, 134750, 14.937, 10.603, 0.001438, 0.0000036711}, HOV = {106, 4.275764E+07, -1.051245, 4.601706, -5.558946, 2.369496}, VapCp = {16, 109310, -704.2, 13.352, -0.00017922, 4.6992E-08}, LiqVis = {101, -61.08861, 2532.297, 8.091665, -0.0000152585, 2}, VapVis = {102, 2.6134E-08, 0.948, -37.497, 9005.3, 0}, LiqK = {16, 0.083657, 49.111, -3.4536, 0.0077989, -0.000025112}, VapK = {102, -0.076333, 0.38025, -7539.9, -2646800, 0}, Racketparam = 0.2611, UniquacR = 5.1742, UniquacQ = 4.396, ChaoSeadAF = 0.3403, ChaoSeadSP = 15230, ChaoSeadLV = 0.1475);
+end Nheptane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexacosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexacosane.mo
new file mode 100644
index 0000000..5ef8184
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexacosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nhexacosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 213, name = "Nhexacosane", CAS = "630-01-3", Tc = 844.7, Pc = 1162000, Vc = 1.473, Cc = 0.203, Tb = 685.35, Tm = 329.55, TT = 329.25, TP = 0.000515816, MW = 366.707, LVB = 0.4561, AF = 1.15444, SP = 15800, DM = 0, SH = -1209000000.0, IGHF = -5.814E+08, GEF = 1.636E+08, AS = 1176000, HFMP = 5.9496E+07, HOC = -1.6E+10, LiqDen = {105, 0.0012458, 0.021983, 844.7, 0.10464, 0}, VP = {101, -181.3952, -2296.288, 31.90668, -0.0000256231, 2}, LiqCp = {16, 657670, -651.68, 14.164, -0.00036454, 7.7672E-07}, HOV = {106, 2.0502E+08, 2.0708, -3.8957, 4.3419, -2.0579}, VapCp = {16, 342560, -564.25, 14.318, 0.00013185, -5.001E-08}, LiqVis = {101, -92.13292, 5845.982, 12.08985, -8.198834E-06, 2}, VapVis = {102, 2.7977E-07, 0.616, 732.48, 6359.2, 0}, LiqK = {16, 0.020148, -211.96, -0.39294, -0.0031327, 1.9698E-07}, VapK = {102, -164.53, 1.0626, -4.163E+09, -7.6944E+10, 0}, Racketparam = 0.203, UniquacR = 17.9878, UniquacQ = 14.656, ChaoSeadAF = 1.15444, ChaoSeadSP = 15800, ChaoSeadLV = 0.4561);
+end Nhexacosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexadecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexadecane.mo
new file mode 100644
index 0000000..a9c0eb3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexadecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nhexadecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 188, name = "Nhexadecane", CAS = "544-76-3", Tc = 723, Pc = 1400000, Vc = 1.034, Cc = 0.241, Tb = 559.98, Tm = 291.308, TT = 291.308, TP = 0.0922432, MW = 226.446, LVB = 0.29411, AF = 0.726, SP = 16190, DM = 0, SH = -168070000.0, IGHF = -3.7417E+08, GEF = 8.216E+07, AS = 781020, HFMP = 5.3358E+07, HOC = -9.95145E+09, LiqDen = {105, 0.23237, 0.23642, 723, 0.28403, 0}, VP = {101, 138.0173, -14151.1, -16.24379, 5.027608E-06, 2}, LiqCp = {16, 387360, -123.61, 10.738, 0.005, -0.0000019617}, HOV = {106, 1.2775E+08, 0.92612, 0.52583, -2.1415, 1.2039}, VapCp = {16, 232700, -655.34, 14.079, -0.0001451, 4.6597E-08}, LiqVis = {101, -84.70059, 4841.907, 11.15158, -9.617336E-06, 2}, VapVis = {102, 1.3203E-07, 0.72722, 424.3, 4562.7, 0}, LiqK = {16, 0.006807, -152.97, -0.44096, -0.0038892, 0.0000012245}, VapK = {102, 0.0000035961, 1.5118, 510.88, 23814, 0}, Racketparam = 0.226854, UniquacR = 11.24, UniquacQ = 9.26, ChaoSeadAF = 0.7078, ChaoSeadSP = 16343.54, ChaoSeadLV = 0.2941);
+end Nhexadecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexane.mo
new file mode 100644
index 0000000..8c93e2b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 135, name = "Nhexane", CAS = "110-54-3", Tc = 507.6, Pc = 3025000, Vc = 0.368, Cc = 0.264, Tb = 341.88, Tm = 177.83, TT = 177.83, TP = 0.901695, MW = 86.177, LVB = 0.13159, AF = 0.297, SP = 14870, DM = 0, SH = -168070000.0, IGHF = -1.6694E+08, GEF = -66340, AS = 388740, HFMP = 1.308E+07, HOC = -3.8551E+09, LiqDen = {105, 0.55661, 0.23506, 507.6, 0.24183, 0}, VP = {101, 71.56625, -5848.968, -7.46028, 0.0000050823, 2}, LiqCp = {16, 155690, 5.9137, 7.3123, 0.013809, -0.0000093814}, HOV = {106, 4.086241E+07, -1.014854, 4.97802, -6.266175, 2.685532}, VapCp = {16, 94649, -698.41, 13.164, -0.00011992, 2.9719E-08}, LiqVis = {101, -62.582, 2308.7, 8.5085, -0.000019741, 2}, VapVis = {102, 3.3843E-07, 0.62082, 239.17, -260.6, 0}, LiqK = {16, -0.12682, -1.5015, -1.0467, -0.00088709, -9.3679E-07}, VapK = {102, -569.52, 0.7943, -1.1379E+09, -8.2055E+09, 0}, Racketparam = 0.2635, UniquacR = 4.4998, UniquacQ = 3.856, ChaoSeadAF = 0.2927, ChaoSeadSP = 14870.79, ChaoSeadLV = 0.1316);
+end Nhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexylacetate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexylacetate.mo
new file mode 100644
index 0000000..fd6d2d6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexylacetate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nhexylacetate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 340, name = "Nhexylacetate", CAS = "142-92-7", Tc = 623.5, Pc = 2410000, Vc = 0.519, Cc = 0.244, Tb = 444.65, Tm = 192.25, TT = 192.25, TP = 0.000851561, MW = 144.211, LVB = 0.166008, AF = 0.461433, SP = 17200, DM = 6.2E-30, SH = -216400000.0, IGHF = -5.263E+08, GEF = -2.954E+08, AS = 520900, HFMP = 1.69E+07, HOC = -4.505E+09, LiqDen = {105, 0.39801, 0.22828, 623.5, 0.26879, 0}, VP = {101, 135.2, -10778, -16.633, 0.000010146, 2}, LiqCp = {16, 152410, 849.23, 3.575, 0.024024, -0.000019964}, HOV = {106, 7.6365E+07, 1.3535, -2.7266, 3.0189, -1.2516}, VapCp = {16, 74275, -423.1, 13.088, 0.00020721, -5.6794E-08}, LiqVis = {101, -11.853, 1437.9, 0.03568, -1.5887E-07, 2}, VapVis = {102, 0.0000001052, 0.76244, 141.7, -5217.3, 0}, LiqK = {16, 0.076217, 432.06, -6.6217, 0.014354, -0.00002134}, VapK = {102, -96.991, -0.0010535, 51726, -1.0193E+09, 0}, Racketparam = 0.244, UniquacR = 6.1762, UniquacQ = 5.276, ChaoSeadAF = 0.539588, ChaoSeadSP = 17200, ChaoSeadLV = 0.166008);
+end Nhexylacetate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexylmercaptan.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexylmercaptan.mo
new file mode 100644
index 0000000..4c993d2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nhexylmercaptan.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nhexylmercaptan
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 353, name = "Nhexylmercaptan", CAS = "111-31-9", Tc = 622, Pc = 3025000, Vc = 0.412, Cc = 0.245, Tb = 424.15, Tm = 192.15, TT = 192.62, TP = 0.0130959, MW = 118.24, LVB = 0.141006, AF = 0.369, SP = 17450, DM = 5.17E-30, SH = -22600000.0, IGHF = -1.292E+08, GEF = 2.77E+07, AS = 454600, HFMP = 1.801E+07, HOC = -4.176E+09, LiqDen = {105, 0.60827, 0.26212, 623.01, 0.27785, 0}, VP = {101, 102.0208, -8530.272, -11.91139, 8.521739E-06, 2}, LiqCp = {16, 168110, 243.92, 7.741, 0.0099925, -0.0000054522}, HOV = {106, 6.053718E+07, 0.532372, -0.222059, 0.0696209, -0.00101028}, VapCp = {16, 116170, -711.75, 13.18, -0.000044297, 1.0562E-09}, LiqVis = {101, -35.723, 1823.3, 4.0853, -0.0000098564, 2}, VapVis = {102, 6.7616E-08, 0.85134, 101.57, -4277.1, 0}, LiqK = {16, -0.076932, 5.5076, -1.3601, -0.00033003, -0.000001155}, VapK = {102, 0.090806, 0.27994, 4707, 1982000, 0}, Racketparam = 0.245, UniquacR = 5.2497, UniquacQ = 4.376, ChaoSeadAF = 0.369, ChaoSeadSP = 17450, ChaoSeadLV = 0.141006);
+end Nhexylmercaptan;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitricacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitricacid.mo
new file mode 100644
index 0000000..975802c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitricacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitricacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 18, name = "Nitricacid", CAS = "7697-37-2", Tc = 520, Pc = 6890100, Vc = 0.145, Cc = 0.231, Tb = 356.15, Tm = 231.55, TT = 231.55, TP = 60.7682, MW = 63.0128, LVB = 0.041734, AF = 0.714406, SP = 29610, DM = 7.24E-30, SH = 0.0, IGHF = -1.343E+08, GEF = -7.401E+07, AS = 266370, HFMP = 1.047E+07, HOC = 1.34E+07, LiqDen = {105, 6.9293, 0.47274, 520, 0.49837, 0}, VP = {101, 26.654, -5017.1, -0.036699, -0.0000064771, 2}, LiqCp = {16, 111110, -611.57, -2.7202, 0.014286, -0.000033905}, HOV = {106, 7.01E+07, 0.68707, -0.0019914, 0.0028792, -0.0014403}, VapCp = {16, 32639, -463.06, 11.547, -0.00011018, 4.1801E-09}, LiqVis = {101, 264.29, -7985, -44.099, 0.000074947, 2}, VapVis = {102, 2.2234E-07, 0.72283, 140.72, -0.0025913, 0}, LiqK = {16, 0.15591, -186.43, -2.2714, 0.0033214, -0.0000018932}, VapK = {102, 0.00063365, 0.72057, 645.24, 0.005306, 0}, Racketparam = 0, UniquacR = 1.638761, UniquacQ = 1.564, ChaoSeadAF = 0.714406, ChaoSeadSP = 29605.6, ChaoSeadLV = 0.041734);
+end Nitricacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitricoxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitricoxide.mo
new file mode 100644
index 0000000..5dda407
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitricoxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitricoxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 19, name = "Nitricoxide", CAS = "10102-43-9", Tc = 180, Pc = 6480000, Vc = 0.058, Cc = 0.251, Tb = 121.38, Tm = 112.15, TT = 109.5, TP = 21890, MW = 30.006, LVB = 0.02344, AF = 0.582, SP = 23120, DM = 5.1E-31, SH = 90250000.0, IGHF = 9.025E+07, GEF = 8.657E+07, AS = 210600, HFMP = 2301000, HOC = -9.02489E+07, LiqDen = {105, 2.1354, 0.19686, 180.16, 0.15443, 0}, VP = {101, 98.67523, -3011.477, -13.21121, 0.000072078, 2}, LiqCp = {16, 38756, -323.94, 15.685, -0.060412, 0.00033434}, HOV = {106, 2.4721E+07, 2.2365, -5.8672, 6.8169, -2.7529}, VapCp = {16, 29831.89, -2622.96, 12.94433, -0.00260975, 6.261468E-07}, LiqVis = {101, -50.098, 734.63, 8.0267, -0.00017996, 2}, VapVis = {102, 0.0000010289, 0.55954, 89.353, 515.43, 0}, LiqK = {16, -0.85384, 4.7868, -0.010049, 0.0010454, -0.0000086044}, VapK = {102, 0.00046657, 0.73353, 58.917, -625.75, 0}, Racketparam = 0, UniquacR = 0.9163, UniquacQ = 0.9859, ChaoSeadAF = 0.582944, ChaoSeadSP = 23117.6, ChaoSeadLV = 0.0234267);
+end Nitricoxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrobenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrobenzene.mo
new file mode 100644
index 0000000..1e5aaaf
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrobenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitrobenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 124, name = "Nitrobenzene", CAS = "98-95-3", Tc = 719, Pc = 4400000, Vc = 0.349, Cc = 0.257, Tb = 483.95, Tm = 278.91, TT = 278.87, TP = 6.69814, MW = 123.109, LVB = 0.102717, AF = 0.449158, SP = 22610, DM = 1.41E-29, SH = -168070000.0, IGHF = 6.75E+07, GEF = 1.63E+08, AS = 342100, HFMP = 1.16E+07, HOC = -2.9782E+09, LiqDen = {105, 0.69124, 0.24124, 719, 0.28137, 0}, VP = {101, 112.2302, -10538.91, -12.95686, 5.116363E-06, 2}, LiqCp = {16, 146460, 1160.6, 0.44135, 0.024575, -0.000013049}, HOV = {106, 4.9884E+07, -2.0813, 7.5215, -8.8126, 3.6947}, VapCp = {16, 112710, -1114.3, 13.93, -0.0013044, 3.7699E-07}, LiqVis = {101, -78.652, 4202, 10.37, -0.0000091095, 2}, VapVis = {102, 1.1361E-07, 0.80626, 193.03, -46.762, 0}, LiqK = {16, 0.11293, -401.92, 1.2826, -0.013207, 0.0000075932}, VapK = {102, 0.00014373, 0.9615, 718, -0.0027852, 0}, Racketparam = 0.251146, UniquacR = 4.13, UniquacQ = 3.14, ChaoSeadAF = 0.447966, ChaoSeadSP = 22612.4, ChaoSeadLV = 0.102717);
+end Nitrobenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitroethane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitroethane.mo
new file mode 100644
index 0000000..599836b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitroethane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitroethane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 380, name = "Nitroethane", CAS = "79-24-3", Tc = 557.15, Pc = 5160000, Vc = 0.236, Cc = 0.247, Tb = 387.22, Tm = 183.63, TT = 183.63, TP = 0.0317711, MW = 75.0666, LVB = 0.0720005, AF = 0.672348, SP = 23090, DM = 1.22E-29, SH = -22600000.0, IGHF = -1.022E+08, GEF = -4900000, AS = 315400, HFMP = 9853000, HOC = -1.25E+09, LiqDen = {105, 0.90007, 0.22451, 593.01, 0.26359, 0}, VP = {101, 81.03385, -7188.308, -8.680357, 0.0000053196, 2}, LiqCp = {16, 67990, 798.52, 2.4874, 0.02816, -0.000027001}, HOV = {106, 5.428692E+07, 0.314015, -0.225443, 1.068645, -0.953684}, VapCp = {16, 48198, -581.79, 12.283, 0.000023838, -2.2739E-08}, LiqVis = {101, 15.403, 194.75, -4.2217, 0.0000078126, 2}, VapVis = {102, 2.4631E-07, 0.70062, 285.76, -1030.8, 0}, LiqK = {16, -0.1486, 6.324, -1.0708, 0.00009663, -0.0000015981}, VapK = {102, 0.0011064, 0.69186, 675.03, 236860, 0}, Racketparam = 0.247, UniquacR = 2.6829, UniquacQ = 2.408, ChaoSeadAF = 0.380324, ChaoSeadSP = 23090, ChaoSeadLV = 0.0720005);
+end Nitroethane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogen.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogen.mo
new file mode 100644
index 0000000..9307612
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogen.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitrogen
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 21, name = "Nitrogen", CAS = "7727-37-9", Tc = 126.2, Pc = 3398000, Vc = 0.0901, Cc = 0.289, Tb = 77.35, Tm = 63.149, TT = 63.149, TP = 12520, MW = 28.014, LVB = 0.03484, AF = 0.037, SP = 9082, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 191500, HFMP = 720000, HOC = 0, LiqDen = {105, 2.435, 0.25137, 126.27, 0.249, 0}, VP = {101, 42.32946, -965.9771, -4.321774, 0.0000797271, 2}, LiqCp = {16, 55135, 217.45, -0.9071, 0.05327, 0.00024166}, HOV = {106, 2.7284E+07, 7.8021, -19.125, 19.518, -7.5428}, VapCp = {16, 29103.63, -2305.946, 11.31935, -0.00100557, 1.706099E-07}, LiqVis = {101, 3.4358, -24.706, -2.6748, -0.000041603, 2}, VapVis = {102, 4.6051E-07, 0.65049, 5.8019, 2822.7, 0}, LiqK = {16, -0.21743, 10.383, -1.0631, 0.00036245, -0.000023265}, VapK = {102, 0.0003395, 0.76921, 19.592, 293.93, 0}, Racketparam = 0.2906, UniquacR = 1.0415, UniquacQ = 1.088, ChaoSeadAF = 0.045, ChaoSeadSP = 9081.94, ChaoSeadLV = 0.0346723);
+end Nitrogen;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogendioxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogendioxide.mo
new file mode 100644
index 0000000..ef4f943
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogendioxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitrogendioxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 20, name = "Nitrogendioxide", CAS = "10102-44-0", Tc = 431.15, Pc = 1.01325E+07, Vc = 0.08249, Cc = 0.233, Tb = 294.15, Tm = 261.9, TT = 261.9, TP = 18728.3, MW = 46.0055, LVB = 0.031997, AF = 0.851088, SP = 33390, DM = 1.05E-30, SH = 33180000.0, IGHF = 3.318E+07, GEF = 5.1328E+07, AS = 239920, HFMP = 1.465E+07, HOC = -3.30954E+07, LiqDen = {105, 2.2179, 0.22994, 431.38, 0.19006, 0}, VP = {101, 18.404, -3508.6, 0.81255, 0.0000049983, 2}, LiqCp = {16, 77435, 432.69, 5.3737, 0.020804, -0.000021695}, HOV = {106, 5.37E+07, 0.3, 0, 0, 0}, VapCp = {16, 32962.96, -578.7755, 10.44921, 0.0000793322, -5.181036E-08}, LiqVis = {101, -311.49, 10041, 49.027, -0.00010518, 2}, VapVis = {102, 1.2078E-08, 1.1399, -382.56, 78187, 0}, LiqK = {16, 0.11611, 127610, -1409.1, 5.1777, -0.0063738}, VapK = {102, 0.070851, -0.2143, -1258, 429500, 0}, Racketparam = 0, UniquacR = 1.053395, UniquacQ = 1.1308, ChaoSeadAF = 0.851088, ChaoSeadSP = 33494.8, ChaoSeadLV = 0.0317854);
+end Nitrogendioxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogentetroxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogentetroxide.mo
new file mode 100644
index 0000000..f5436ef
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogentetroxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitrogentetroxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 196, name = "Nitrogentetroxide", CAS = "10544-72-6", Tc = 431.15, Pc = 1.00312E+07, Vc = 0.08249, Cc = 0.233, Tb = 294.3, Tm = 263.01, TT = 261.9, TP = 18558.7, MW = 92.011, LVB = 0.06407, AF = 0.853274, SP = 24123.32, DM = 0, SH = 9162960.0, IGHF = 9162960, GEF = 9.785E+07, AS = 304320, HFMP = 1.465E+07, HOC = 1983170, LiqDen = {105, 2.117, 0.32671, 431.15, 0.20832, 0}, VP = {101, 72.419, -5432, -7.7259, 0.00001711, 2}, LiqCp = {16, 112080, 15.081, 5.5387, 0.025083, -0.000030338}, HOV = {106, 3.0678E+07, 0.17744, -0.16521, -0.11792, 0.13193}, VapCp = {16, 39950.82, -260.1236, 11.41281, 0.000224817, -1.049284E-07}, LiqVis = {101, -340.1, 10957, 53.641, -0.00011365, 2}, VapVis = {102, 0.0000080298, 0.2905, 212.56, 117290, 0}, LiqK = {16, 0.11499, 26916, -297.75, 1.089, -0.0013592}, VapK = {102, 0.000019664, 1.1277, 265.48, -210280, 0}, Racketparam = 0.233, UniquacR = 1.982861, UniquacQ = 1.984, ChaoSeadAF = 0.853274, ChaoSeadSP = 24123.32, ChaoSeadLV = 0.06407);
+end Nitrogentetroxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogentrioxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogentrioxide.mo
new file mode 100644
index 0000000..50408ca
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrogentrioxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitrogentrioxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 195, name = "Nitrogentrioxide", CAS = "10544-73-7", Tc = 451, Pc = 6990000, Vc = 0.195, Cc = 0.386, Tb = 276.65, Tm = 171.15, TT = 172.45, TP = 15.1767, MW = 76.0116, LVB = 0.0531885, AF = 0.431227, SP = 32600, DM = 7.078E-30, SH = 82843000.0, IGHF = 8.2843E+07, GEF = 1.39727E+08, AS = 308450, HFMP = 0, HOC = -8.2843E+07, LiqDen = {105, 2.7664, 0.37489, 451, 0.040027, 0}, VP = {101, 137.96, -7584.5, -17.9, 0.000022014, 2}, LiqCp = {0, 0, 0, 0, 0, 0}, HOV = {106, 6.1243E+07, 0.17457, -0.20195, -0.16172, 0.24757}, VapCp = {16, 37365, -232.94, 10.977, 0.00031169, -1.1931E-07}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {0, 0, 0, 0, 0, 0}, LiqK = {16, 0, 0, 0, 0, 0}, VapK = {0, 0, 0, 0, 0, 0}, Racketparam = 0.386, UniquacR = 1.738827, UniquacQ = 1.7628, ChaoSeadAF = 0.431227, ChaoSeadSP = 32600, ChaoSeadLV = 0.0531885);
+end Nitrogentrioxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitromethane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitromethane.mo
new file mode 100644
index 0000000..0a35893
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitromethane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitromethane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 379, name = "Nitromethane", CAS = "75-52-5", Tc = 588, Pc = 5870000, Vc = 0.173, Cc = 0.208, Tb = 374.35, Tm = 244.6, TT = 244.6, TP = 146.529, MW = 61.04, LVB = 0.05396, AF = 0.348026, SP = 25700, DM = 1.15E-29, SH = -22600000.0, IGHF = -7.48E+07, GEF = -6940000, AS = 275000, HFMP = 9703000, HOC = -6.432E+08, LiqDen = {105, 1.2195, 0.22476, 588.16, 0.2787, 0}, VP = {101, 93.27, -7345.1, -10.689, 0.0000086998, 2}, LiqCp = {16, 80588, 345.48, 6.7575, 0.0084794, -0.0000031326}, HOV = {106, 4.160998E+07, -0.662124, 2.67118, -2.702805, 0.931262}, VapCp = {16, 38681, -615.84, 11.895, 0.000023118, -2.9677E-08}, LiqVis = {101, -10.411, 1047.6, -0.095445, 6.9198E-07, 2}, VapVis = {102, 4.2141E-07, 0.64539, 383.4, -1344.5, 0}, LiqK = {16, 0.050889, -150.55, -0.2952, -0.0028403, -0.0000022109}, VapK = {102, 0.000031393, 1.1117, -91.903, 128140, 0}, Racketparam = 0.208, UniquacR = 2.0086, UniquacQ = 1.868, ChaoSeadAF = 0.348026, ChaoSeadSP = 257, ChaoSeadLV = 0);
+end Nitromethane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrousoxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrousoxide.mo
new file mode 100644
index 0000000..d1fa2c7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nitrousoxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nitrousoxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 22, name = "Nitrousoxide", CAS = "10024-97-2", Tc = 309.6, Pc = 7255000, Vc = 0.097, Cc = 0.273, Tb = 184.67, Tm = 182.33, TT = 182.3, TP = 87850, MW = 44.013, LVB = 0.0359, AF = 0.162, SP = 8275, DM = 5.57E-31, SH = 82050000.0, IGHF = 8.205E+07, GEF = 1.0416E+08, AS = 219850, HFMP = 6539000, HOC = -8.20482E+07, LiqDen = {105, 2.0978, 0.2338, 309.6, 0.25899, 0}, VP = {101, 50.69662, -2836.473, -4.609937, 7.237315E-06, 2}, LiqCp = {16, 72525, 232.93, 2.2666, 0.037329, -0.000055304}, HOV = {106, 2.585559E+07, 0.982629, -2.292314, 3.369827, -1.65657}, VapCp = {16, 28650, -400.03, 10.5, 0.00014292, -6.728E-08}, LiqVis = {101, -10.876, 472.99, 0.14659, -0.000013815, 2}, VapVis = {102, 0.0000020512, 0.47044, 305.02, -521.81, 0}, LiqK = {16, 0.10112, -5274.1, 16.778, -0.037729, -0.000048678}, VapK = {102, 0.001121, 0.66298, 524.68, 7332.7, 0}, Racketparam = 0, UniquacR = 1.238, UniquacQ = 1.2442, ChaoSeadAF = 0.140894, ChaoSeadSP = 20308, ChaoSeadLV = 0.036002);
+end Nitrousoxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nndimethylacetamide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nndimethylacetamide.mo
new file mode 100644
index 0000000..2076137
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nndimethylacetamide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nndimethylacetamide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 91, name = "Nndimethylacetamide", CAS = "127-19-5", Tc = 658, Pc = 4030000, Vc = 0.321, Cc = 0.236, Tb = 439.25, Tm = 253.15, TT = 253.15, TP = 7.64072, MW = 87.1204, LVB = 0.0930285, AF = 0.363509, SP = 22350, DM = 1.27088E-29, SH = -17100000.0, IGHF = -2.25E+08, GEF = -8.85E+07, AS = 351000, HFMP = 1.04182E+07, HOC = -2.38E+09, LiqDen = {105, 0.72553, 0.2328, 658, 0.27034, 0}, VP = {101, 67.333, -7592.9, -6.3978, 0.0000021543, 2}, LiqCp = {16, 175450, 252.77, 11.249, -0.052983, 0.00011812}, HOV = {106, 5.8939E+07, 0.34564, -0.28415, 0.52832, -0.2171}, VapCp = {16, 41899, -423.52, 12.444, 0.00039958, -1.2339E-07}, LiqVis = {101, 16.727, -219.71, -4.0135, -0.0000013942, 2}, VapVis = {102, 3.4592E-07, 0.64442, 412.29, -8784, 0}, LiqK = {16, 0.06447, -206.75, -0.7204, 0.00031649, -0.000010441}, VapK = {102, 0.0011762, 0.72055, 943.06, 275760, 0}, Racketparam = 0.258662, UniquacR = 3.760053, UniquacQ = 3.276, ChaoSeadAF = 0.363509, ChaoSeadSP = 22352.7, ChaoSeadLV = 0.0930285);
+end Nndimethylacetamide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nndimethylformamide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nndimethylformamide.mo
new file mode 100644
index 0000000..e53a885
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nndimethylformamide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nndimethylformamide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 66, name = "Nndimethylformamide", CAS = "68-12-2", Tc = 649.6, Pc = 4420000, Vc = 0.26199, Cc = 0.214, Tb = 425.15, Tm = 212.72, TT = 212.72, TP = 0.195325, MW = 73.0938, LVB = 0.0773903, AF = 0.31771, SP = 23960, DM = 1.27E-29, SH = 20230000.0, IGHF = -1.917E+08, GEF = -8.84E+07, AS = 326000, HFMP = 1.615E+07, HOC = -1.78871E+09, LiqDen = {105, 0.65216, 0.20032, 649.6, 0.24418, 0}, VP = {101, 68.99879, -7311.388, -6.749791, 3.063845E-06, 2}, LiqCp = {16, 141440, 162.91, 4.0696, 0.019381, -0.000013063}, HOV = {106, 5.7496E+07, 0.2466, 0.21619, -0.11587, 0.026126}, VapCp = {16, 68728, -846.07, 13.139, -0.00064688, 1.6133E-07}, LiqVis = {101, -9.089031, 826.091, -0.0843389, -3.479212E-06, 2}, VapVis = {102, 0.0000034602, 0.37991, 1156.9, 8715.8, 0}, LiqK = {16, 0.14084, -2496, 20.244, -0.064914, 0.000049356}, VapK = {102, 0.015205, 0.35461, 594.92, 741220, 0}, Racketparam = 0, UniquacR = 3.0856, UniquacQ = 2.736, ChaoSeadAF = 0.375516, ChaoSeadSP = 23964.9, ChaoSeadLV = 0.0773743);
+end Nndimethylformamide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nnonacosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nnonacosane.mo
new file mode 100644
index 0000000..44bf7be
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nnonacosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nnonacosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 216, name = "Nnonacosane", CAS = "630-03-5", Tc = 838, Pc = 826000, Vc = 1.69, Cc = 0.2, Tb = 713.95, Tm = 339.15, TT = 336.85, TP = 0.0000684619, MW = 408.787, LVB = 0.523824, AF = 1.26531, SP = 15500, DM = 0, SH = -1209000000.0, IGHF = -6.435E+08, GEF = 1.879E+08, AS = 1295000, HFMP = 6.6107E+07, HOC = -1.782E+10, LiqDen = {105, 0.12857, 0.23366, 838, 0.30121, 0}, VP = {101, -4.241455, -11668.64, 5.534214, -8.103778E-06, 2}, LiqCp = {16, -89782, -199.31, 14.448, -0.00027681, 5.1812E-07}, HOV = {106, 1.9213E+08, 0.53282, 0.78359, -0.96953, 0.062608}, VapCp = {16, 383900, -568.27, 14.435, 0.00012081, -4.6695E-08}, LiqVis = {101, -11.543, 2141.6, 0.0076776, -5.4408E-09, 2}, VapVis = {102, 2.7904E-07, 0.59854, 575.23, 50800, 0}, LiqK = {16, -0.1272, 8.851, -1.1267, -0.00035068, -3.6961E-07}, VapK = {102, -257.69, 1.0697, -7.2501E+09, -1.1593E+11, 0}, Racketparam = 0.2, UniquacR = 20.011, UniquacQ = 16.276, ChaoSeadAF = 1.26531, ChaoSeadSP = 15500, ChaoSeadLV = 0.523824);
+end Nnonacosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nnonadecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nnonadecane.mo
new file mode 100644
index 0000000..83570d1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nnonadecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nnonadecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 207, name = "Nnonadecane", CAS = "629-92-5", Tc = 760, Pc = 1230000, Vc = 1.1, Cc = 0.215, Tb = 603.75, Tm = 305.05, TT = 305.04, TP = 0.0159089, MW = 268.521, LVB = 0.343701, AF = 0.8271, SP = 16200, DM = 0, SH = -1209000000.0, IGHF = -4.3514E+08, GEF = 1.075E+08, AS = 898930, HFMP = 5.02E+07, HOC = -1.17812E+10, LiqDen = {105, 0.20149, 0.23831, 760, 0.29903, 0}, VP = {101, 182.4003, -17843.62, -22.48728, 7.349606E-06, 2}, LiqCp = {16, 244790, 42.54, 11.446, 0.0046334, -0.0000026668}, HOV = {106, 1.5404E+08, 1.2215, -0.32899, -1.0541, 0.6821}, VapCp = {16, 274480, -648.39, 14.221, -0.00011095, 3.3607E-08}, LiqVis = {101, -84.761, 5101, 11.082, -0.0000087239, 2}, VapVis = {102, 3.0651E-07, 0.58942, 341.93, 67425, 0}, LiqK = {16, -0.057019, 73.111, -2.1518, 0.0021618, -0.0000035171}, VapK = {102, 0.000043333, 1.271, 2799.6, 138170, 0}, Racketparam = 0.215, UniquacR = 13.267, UniquacQ = 10.876, ChaoSeadAF = 0.8271, ChaoSeadSP = 16200, ChaoSeadLV = 0.343701);
+end Nnonadecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nnonane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nnonane.mo
new file mode 100644
index 0000000..30d8613
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nnonane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nnonane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 166, name = "Nnonane", CAS = "111-84-2", Tc = 594.6, Pc = 2290000, Vc = 0.555, Cc = 0.257, Tb = 423.97, Tm = 219.66, TT = 219.66, TP = 0.430583, MW = 128.258, LVB = 0.1797, AF = 0.443, SP = 15630, DM = 0, SH = -168070000.0, IGHF = -2.2874E+08, GEF = 2.498E+07, AS = 506400, HFMP = 1.547E+07, HOC = -5.68455E+09, LiqDen = {105, 0.46379, 0.25569, 594.6, 0.27961, 0}, VP = {101, 34.38252, -6235.412, -1.153933, -6.408486E-06, 2}, LiqCp = {16, 263370, -14466, 134.04, -0.36823, 0.00038456}, HOV = {106, 8.427482E+07, 1.573752, -1.785921, 0.692082, 0.00268541}, VapCp = {16, 137710, -699.52, 13.613, -0.00021735, 5.3695E-08}, LiqVis = {101, -75.488, 3420.7, 10.183, -0.000014836, 2}, VapVis = {102, 1.0363E-07, 0.77284, 221.39, -190.1, 0}, LiqK = {16, 0.022998, -23.224, -1.6475, -0.000633, -0.0000035211}, VapK = {102, -0.065472, 0.27739, -3569.2, -1629700, 0}, Racketparam = 0.251687, UniquacR = 6.523, UniquacQ = 5.476, ChaoSeadAF = 0.4439, ChaoSeadSP = 15648.08, ChaoSeadLV = 0.1796);
+end Nnonane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Noctacosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Noctacosane.mo
new file mode 100644
index 0000000..b958679
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Noctacosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Noctacosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 215, name = "Noctacosane", CAS = "630-02-4", Tc = 843, Pc = 888000, Vc = 1.58, Cc = 0.2, Tb = 704.75, Tm = 334.55, TT = 334.35, TP = 0.000104457, MW = 394.76, LVB = 0.492645, AF = 1.23752, SP = 15700, DM = 0, SH = -1209000000.0, IGHF = -6.228E+08, GEF = 1.799E+08, AS = 1255000, HFMP = 6.4643E+07, HOC = -1.722E+10, LiqDen = {105, 0.0073167, 0.055448, 843, 0.13236, 0}, VP = {101, 196.5874, -22285.21, -23.91336, 7.155924E-06, 2}, LiqCp = {16, 494250, -131.76, 12.406, 0.0033619, -0.0000018387}, HOV = {106, 2.0593E+08, 0.90796, 0.4061, -1.298, 0.44283}, VapCp = {16, 335140, -505.51, 14.268, 0.00027376, -9.6008E-08}, LiqVis = {101, -110.67, 6750.2, 14.886, -0.000010312, 2}, VapVis = {102, 0.0000003028, 0.58316, 487.28, 64252, 0}, LiqK = {16, -0.0095167, -82.828, -0.8204, -0.0023614, 5.0131E-07}, VapK = {102, -190.77, 1.0711, -5.355E+09, -7.036E+10, 0}, Racketparam = 0.2, UniquacR = 19.3366, UniquacQ = 15.736, ChaoSeadAF = 1.23752, ChaoSeadSP = 15700, ChaoSeadLV = 0.492645);
+end Noctacosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Noctadecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Noctadecane.mo
new file mode 100644
index 0000000..3319b94
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Noctadecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Noctadecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 206, name = "Noctadecane", CAS = "593-45-3", Tc = 747, Pc = 1290000, Vc = 1.189, Cc = 0.247, Tb = 588.3, Tm = 301.33, TT = 301.33, TP = 0.0339091, MW = 254.5, LVB = 0.32666, AF = 0.808, SP = 16100, DM = 0, SH = -1209000000.0, IGHF = -4.1457E+08, GEF = 9.921E+07, AS = 859450, HFMP = 6.1986E+07, HOC = -1.11726E+10, LiqDen = {105, 0.21099, 0.23901, 748.16, 0.28153, 0}, VP = {101, 156.4726, -16120.27, -18.72498, 5.38655E-06, 2}, LiqCp = {16, 332820, -15.176, 11.369, 0.0039066, -0.0000015738}, HOV = {106, 1.214E+08, 0.36333, 1.283, -2.0514, 0.85175}, VapCp = {16, 258960, -641.43, 14.136, -0.000068602, 1.814E-08}, LiqVis = {101, -83.956, 4978.7, 10.99, -0.0000089834, 2}, VapVis = {102, 3.2955E-07, 0.58255, 343.75, 67974, 0}, LiqK = {16, -0.046627, -130.56, -0.64842, -0.0017182, -4.6995E-07}, VapK = {102, -198.99, 1.1011, -5.9685E+09, 5.2419E+11, 0}, Racketparam = 0.247, UniquacR = 12.5926, UniquacQ = 10.336, ChaoSeadAF = 0.808, ChaoSeadSP = 16100, ChaoSeadLV = 0.32666);
+end Noctadecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Noctane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Noctane.mo
new file mode 100644
index 0000000..46a955d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Noctane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Noctane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 155, name = "Noctane", CAS = "111-65-9", Tc = 568.7, Pc = 2490000, Vc = 0.492, Cc = 0.259, Tb = 398.82, Tm = 216.38, TT = 216.38, TP = 2.1083, MW = 114.231, LVB = 0.16353, AF = 0.397, SP = 15490, DM = 0, SH = -168070000.0, IGHF = -2.0875E+08, GEF = 1.6E+07, AS = 467230, HFMP = 2.074E+07, HOC = -5.07415E+09, LiqDen = {105, 0.4436, 0.23818, 568.77, 0.25171, 0}, VP = {101, 87.46069, -7578.199, -9.657211, 5.664818E-06, 2}, LiqCp = {16, 184080, 362.58, 6.1268, 0.015908, -0.000010697}, HOV = {106, 6.509104E+07, 0.906328, -0.61829, 0.0251605, 0.114898}, VapCp = {16, 123360, -700.1, 13.486, -0.00019118, 4.5401E-08}, LiqVis = {101, -67.06275, 2937.699, 8.939458, -0.0000146474, 2}, VapVis = {102, 7.2215E-09, 1.1166, -127.08, 17623, 0}, LiqK = {16, -0.03316, 17.841, -1.6367, -0.000047737, -0.0000026501}, VapK = {102, -8968.5, 0.84408, -2.7564E+10, -6.5097E+10, 0}, Racketparam = 0.2567, UniquacR = 5.8486, UniquacQ = 4.936, ChaoSeadAF = 0.3992, ChaoSeadSP = 15445.57, ChaoSeadLV = 0.163455);
+end Noctane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentacosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentacosane.mo
new file mode 100644
index 0000000..ee96957
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentacosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npentacosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 212, name = "Npentacosane", CAS = "629-99-2", Tc = 836.31, Pc = 1202000, Vc = 1.418, Cc = 0.205, Tb = 675.05, Tm = 327.9, TT = 326.65, TP = 0.00079876, MW = 352.68, LVB = 0.442767, AF = 1.10526, SP = 15800, DM = 0, SH = -1209000000.0, IGHF = -5.607E+08, GEF = 1.553E+08, AS = 1143000, HFMP = 5.7739E+07, HOC = -1.539E+10, LiqDen = {105, 0.00063401, 0.015388, 836.31, 0.093752, 0}, VP = {101, -203.2504, -1095.063, 35.1974, -0.0000282197, 2}, LiqCp = {16, 528340, -126.87, 12.075, 0.002955, -9.8642E-07}, HOV = {106, 1.9288E+08, 1.8937, -3.4712, 3.9636, -1.9344}, VapCp = {16, 330530, -566.25, 14.283, 0.00012874, -4.9096E-08}, LiqVis = {101, -9.804, 1971.8, -0.26998, 3.9914E-07, 2}, VapVis = {102, 2.8769E-07, 0.61575, 746.72, 4040.4, 0}, LiqK = {16, 0.0058343, -203.86, -0.37432, -0.0029792, 2.4773E-07}, VapK = {102, -266.99, 1.0606, -6.4961E+09, -1.2167E+11, 0}, Racketparam = 0.205, UniquacR = 17.3134, UniquacQ = 14.116, ChaoSeadAF = 1.10526, ChaoSeadSP = 15800, ChaoSeadLV = 0.442767);
+end Npentacosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentadecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentadecane.mo
new file mode 100644
index 0000000..61ff718
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentadecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npentadecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 184, name = "Npentadecane", CAS = "629-62-9", Tc = 708, Pc = 1480000, Vc = 0.966, Cc = 0.243, Tb = 543.83, Tm = 283.072, TT = 283.072, TP = 0.128872, MW = 212.419, LVB = 0.27771, AF = 0.685, SP = 16210, DM = 0, SH = -168070000.0, IGHF = -3.5311E+08, GEF = 7.426E+07, AS = 741810, HFMP = 3.459E+07, HOC = -9.34237E+09, LiqDen = {105, 0.26611, 0.24483, 708, 0.29579, 0}, VP = {101, 105.7905, -12176.19, -11.51031, 2.157424E-06, 2}, LiqCp = {16, 44888, 73.977, 11.979, 0.0027483, -9.4622E-07}, HOV = {106, 1.334182E+08, 1.382258, -0.345375, -1.508041, 0.995233}, VapCp = {16, 218790, -655.87, 14.013, -0.00013811, 4.3573E-08}, LiqVis = {101, -91.37005, 4965.801, 12.24551, -0.0000115231, 2}, VapVis = {102, 3.2252E-08, 0.90575, 168.22, 3233.4, 0}, LiqK = {16, 0.010742, -152.75, -0.43594, -0.0040245, 0.0000012373}, VapK = {102, 0.0000047787, 1.4851, 642.9, 182.7, 0}, Racketparam = 0.245, UniquacR = 10.5694, UniquacQ = 8.716001, ChaoSeadAF = 0.6743, ChaoSeadSP = 16282.18, ChaoSeadLV = 0.2778);
+end Npentadecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentane.mo
new file mode 100644
index 0000000..3bb71b8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 115, name = "Npentane", CAS = "109-66-0", Tc = 469.7, Pc = 3370000, Vc = 0.311, Cc = 0.268, Tb = 309.22, Tm = 143.42, TT = 143.42, TP = 0.0686418, MW = 72.15, LVB = 0.11522, AF = 0.251, SP = 14380, DM = 0, SH = -27600000.0, IGHF = -1.4676E+08, GEF = -8813000, AS = 349450, HFMP = 8401500, HOC = -3.24494E+09, LiqDen = {105, 0.77386, 0.25574, 469.7, 0.26319, 0}, VP = {101, 72.14242, -5265.589, -7.720709, 7.151866E-06, 2}, LiqCp = {16, 122980, 401.5, 3.9651, 0.024056, -0.000020161}, HOV = {106, 4.0854E+07, 0.25483, 0.96045, -1.5349, 0.72504}, VapCp = {16, 81062, -706.86, 12.962, -0.000049298, 2.8357E-09}, LiqVis = {101, -28.93847, 1176.355, 3.050544, -9.721368E-06, 2}, VapVis = {102, 5.9173E-08, 0.85109, 8.4138, 3723.2, 0}, LiqK = {16, 0.023649, -75.089, -0.64229, -0.005078, -2.7196E-07}, VapK = {102, -603.2, 0.74698, -8.1823E+08, -8.7865E+09, 0}, Racketparam = 0.2685, UniquacR = 3.8254, UniquacQ = 3.316, ChaoSeadAF = 0.2387, ChaoSeadSP = 14359.41, ChaoSeadLV = 0.1161);
+end Npentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentylacetate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentylacetate.mo
new file mode 100644
index 0000000..0fcb9dc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npentylacetate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npentylacetate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 338, name = "Npentylacetate", CAS = "628-63-7", Tc = 605.15, Pc = 2800000, Vc = 0.442, Cc = 0.245, Tb = 422.15, Tm = 202.35, TT = 202.35, TP = 0.0185761, MW = 130.185, LVB = 0.149382, AF = 0.413866, SP = 17360, DM = 6.44E-30, SH = -216400000.0, IGHF = -5.055E+08, GEF = -3.035E+08, AS = 481800, HFMP = 1.65E+07, HOC = -3.89405E+09, LiqDen = {105, 0.12608, 0.12252, 605.15, 0.16886, 0}, VP = {101, 168.7214, -11229.65, -22.11732, 0.0000177213, 2}, LiqCp = {16, 162580, 80.092, 8.5511, 0.011513, -0.0000095523}, HOV = {106, 7.883914E+07, 0.946213, -0.171734, -0.730153, 0.419139}, VapCp = {16, 47433, -339.24, 12.756, 0.0005476, -2.1862E-07}, LiqVis = {101, -24.376, 1661.3, 2.1378, -0.0000051198, 2}, VapVis = {102, 4.6095E-07, 0.57889, 337.64, -259.28, 0}, LiqK = {16, -0.08346, 4.4855, -1.2866, -0.00064282, -6.6262E-07}, VapK = {102, -0.014827, 0.47704, -3337.4, -1003300, 0}, Racketparam = 0.245, UniquacR = 5.5018, UniquacQ = 4.736, ChaoSeadAF = 0.447773, ChaoSeadSP = 17360, ChaoSeadLV = 0.149382);
+end Npentylacetate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylacetate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylacetate.mo
new file mode 100644
index 0000000..def17c0
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylacetate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npropylacetate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 113, name = "Npropylacetate", CAS = "109-60-4", Tc = 549.4, Pc = 3330000, Vc = 0.345, Cc = 0.252, Tb = 374.65, Tm = 178.15, TT = 178.15, TP = 0.0171129, MW = 102.133, LVB = 0.11572, AF = 0.389, SP = 17890, DM = 5.97E-30, SH = -27600000.0, IGHF = -4.648E+08, GEF = -3.204E+08, AS = 402300, HFMP = 1.12E+07, HOC = -2.672E+09, LiqDen = {105, 0.57751, 0.2255, 549.4, 0.25884, 0}, VP = {101, 106.6613, -8095.022, -12.62161, 8.999471E-06, 2}, LiqCp = {16, 124410, 36.932, 8.3883, 0.012662, -0.000012028}, HOV = {106, 8.047503E+07, 1.798019, -2.259874, 1.293466, -0.333711}, VapCp = {16, 108820, -937.38, 13.511, -0.00062962, 1.4249E-07}, LiqVis = {101, 15.453, -157.9, -3.9304, -3.2102E-07, 2}, VapVis = {102, 1.9633E-07, 0.69295, 104.27, 10438, 0}, LiqK = {16, 0.045513, -31.328, -1.5572, -0.00066538, -0.0000053334}, VapK = {102, 1128.5, 1.014, 1.1605E+10, -1.2869E+11, 0}, Racketparam = 0, UniquacR = 4.153, UniquacQ = 3.656, ChaoSeadAF = 0.391, ChaoSeadSP = 18004.7, ChaoSeadLV = 0.115712);
+end Npropylacetate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylbenzene.mo
new file mode 100644
index 0000000..b5b16c6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npropylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 164, name = "Npropylbenzene", CAS = "103-65-1", Tc = 638.35, Pc = 3200000, Vc = 0.44, Cc = 0.265, Tb = 432.35, Tm = 173.55, TT = 173.55, TP = 0.000181372, MW = 120.194, LVB = 0.1402, AF = 0.345, SP = 17670, DM = 1.23E-30, SH = -168070000.0, IGHF = 7900000, GEF = 1.376E+08, AS = 400140, HFMP = 9268000, HOC = -4.95415E+09, LiqDen = {105, 0.56872, 0.25108, 638.35, 0.29337, 0}, VP = {101, 90.904, -8254.5, -10.105, 0.0000055769, 2}, LiqCp = {16, 44429, 65.841, 10.897, 0.0032658, -5.4402E-07}, HOV = {106, 7.1312E+07, 1.0445, -0.61076, -0.59569, 0.63332}, VapCp = {16, 82370, -622.6, 13.289, -0.00014307, 2.6658E-08}, LiqVis = {101, -15.601, 1467.9, 0.61045, 8.0442E-07, 2}, VapVis = {102, 4.6834E-07, 0.55936, 217.09, 10253, 0}, LiqK = {16, -0.081391, 2.87, -1.3455, -0.00061835, -5.1664E-07}, VapK = {102, 0.025018, 0.26728, 100.66, 971170, 0}, Racketparam = 0.2599, UniquacR = 5.2716, UniquacQ = 4.048, ChaoSeadAF = 0.3444, ChaoSeadSP = 17805.4, ChaoSeadLV = 0.139831);
+end Npropylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylcyclohexane.mo
new file mode 100644
index 0000000..32e7163
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npropylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 165, name = "Npropylcyclohexane", CAS = "1678-92-8", Tc = 639.15, Pc = 2807000, Vc = 0.477, Cc = 0.252, Tb = 429.897, Tm = 178.25, TT = 178.25, TP = 0.000859078, MW = 126.239, LVB = 0.159758, AF = 0.259535, SP = 16350, DM = 0, SH = -168070000.0, IGHF = -1.933E+08, GEF = 4.738E+07, AS = 419530, HFMP = 1.037E+07, HOC = -5.47966E+09, LiqDen = {105, 0.55532, 0.26594, 639.15, 0.29886, 0}, VP = {101, 82.958, -7871.7, -8.8759, 0.0000037842, 2}, LiqCp = {16, 47569, 39.903, 11.009, 0.0038436, -0.0000012583}, HOV = {106, 6.8086E+07, 1.2548, -2.1193, 2.1809, -0.84474}, VapCp = {16, 123230, -835.51, 14.003, -0.00055451, 1.5912E-07}, LiqVis = {101, -18.964, 1768.3, 1.0133, 0.0000031666, 2}, VapVis = {102, 0.0000010206, 0.44533, 352.16, 7219.8, 0}, LiqK = {16, -0.049742, 3.3035, -1.5814, -0.00048571, -0.000001015}, VapK = {102, 0.000001205, 1.6222, -42.945, 15739, 0}, Racketparam = 0, UniquacR = 6.068799, UniquacQ = 4.856, ChaoSeadAF = 0.2577, ChaoSeadSP = 16377.1, ChaoSeadLV = 0.159758);
+end Npropylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylcyclopentane.mo
new file mode 100644
index 0000000..72dd7ef
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npropylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 154, name = "Npropylcyclopentane", CAS = "2040-96-2", Tc = 596, Pc = 3020000, Vc = 0.428, Cc = 0.261, Tb = 404.11, Tm = 155.81, TT = 155.81, TP = 0.0000458874, MW = 112.213, LVB = 0.145193, AF = 0.326642, SP = 16360, DM = 0, SH = -168070000.0, IGHF = -1.481E+08, GEF = 5.344E+07, AS = 414500, HFMP = 1.003E+07, HOC = -4.89356E+09, LiqDen = {105, 0.63061, 0.26934, 596, 0.28169, 0}, VP = {101, 95.39512, -7846.538, -10.93845, 7.332031E-06, 2}, LiqCp = {16, 121270, 281.76, 6.7151, 0.017545, -0.000016082}, HOV = {106, 7.088104E+07, 1.477689, -1.919309, 1.219865, -0.332624}, VapCp = {16, 82387, -676.01, 13.514, -0.00019546, 4.9854E-08}, LiqVis = {101, -22.725, 1601.8, 1.7512, 2.3108E-07, 2}, VapVis = {102, 0.0000028167, 0.32978, 562.31, 4948.1, 0}, LiqK = {16, -0.033741, 2.5308, -1.6237, -0.00058186, -0.0000013118}, VapK = {102, 0.000098309, 1.0636, 611.41, 33175, 0}, Racketparam = 0, UniquacR = 5.3944, UniquacQ = 4.316, ChaoSeadAF = 0.27189, ChaoSeadSP = 16393.5, ChaoSeadLV = 0.145193);
+end Npropylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylformate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylformate.mo
new file mode 100644
index 0000000..08182bc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylformate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npropylformate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 89, name = "Npropylformate", CAS = "110-74-7", Tc = 538, Pc = 4060000, Vc = 0.285, Cc = 0.259, Tb = 354.69, Tm = 180.25, TT = 180.25, TP = 0.211011, MW = 88.106, LVB = 0.09794, AF = 0.32, SP = 18470, DM = 6.37E-30, SH = -17100000.0, IGHF = -4.076E+08, GEF = -2.936E+08, AS = 367800, HFMP = 1.32E+07, HOC = -2.041E+09, LiqDen = {105, 0.915, 0.26134, 538, 0.28, 0}, VP = {101, 71.35267, -6244.56, -7.280094, 4.220422E-06, 2}, LiqCp = {16, 76453, -41.853, 10.797, 0.0021776, 0.0000016375}, HOV = {106, 5.414398E+07, 0.597341, -0.589234, 1.004533, -0.602007}, VapCp = {16, 48655, -455.54, 12.53, 0.000075917, -4.246E-09}, LiqVis = {101, -51.649, 2317.7, 6.5556, -0.000012396, 2}, VapVis = {102, 6.0899E-07, 0.58607, 368.57, -171.06, 0}, LiqK = {16, 0.017242, -22.474, -1.4478, -0.0011278, -0.0000020716}, VapK = {102, 661.08, 0.99232, 5.8449E+09, -9.0597E+10, 0}, Racketparam = 0, UniquacR = 3.4919, UniquacQ = 3.116, ChaoSeadAF = 0.314, ChaoSeadSP = 18339.9, ChaoSeadLV = 0.0979424);
+end Npropylformate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylmercaptan.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylmercaptan.mo
new file mode 100644
index 0000000..9943133
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Npropylmercaptan.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Npropylmercaptan
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 349, name = "Npropylmercaptan", CAS = "107-03-9", Tc = 536, Pc = 4520000, Vc = 0.254, Cc = 0.264, Tb = 340.65, Tm = 159.85, TT = 160, TP = 0.0651025, MW = 76.1606, LVB = 0.0911676, AF = 0.225, SP = 18020, DM = 5.17E-30, SH = -22600000.0, IGHF = -6.75E+07, GEF = 2700000, AS = 336400, HFMP = 5477000, HOC = -2.345E+09, LiqDen = {105, 0.98491, 0.2613, 536.61, 0.28105, 0}, VP = {101, 81.44938, -6196.556, -9.018418, 0.0000073391, 2}, LiqCp = {16, 104970, 204.83, 8.2793, 0.0048108, 0.0000020317}, HOV = {106, 4.183879E+07, -0.0306824, 1.010385, -0.640892, -0.0194755}, VapCp = {16, 69258, -718.05, 12.587, -0.000090812, 1.349E-08}, LiqVis = {101, -8.6328, 806.3, -0.3609, 0.0000011977, 2}, VapVis = {102, 2.0609E-07, 0.72623, 217.41, -10810, 0}, LiqK = {16, -0.061115, 3.3836, -1.3478, -0.00049487, -0.0000016211}, VapK = {102, 0.0088953, 0.51444, 2337.9, 345110, 0}, Racketparam = 0.264, UniquacR = 3.2265, UniquacQ = 2.756, ChaoSeadAF = 0.225, ChaoSeadSP = 18020, ChaoSeadLV = 0.0911676);
+end Npropylmercaptan;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntetracosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntetracosane.mo
new file mode 100644
index 0000000..6de997b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntetracosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ntetracosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 211, name = "Ntetracosane", CAS = "646-31-1", Tc = 810, Pc = 1020000, Vc = 1.36, Cc = 0.207, Tb = 664.45, Tm = 324.05, TT = 323.75, TP = 0.00138507, MW = 338.654, LVB = 0.426088, AF = 1.07102, SP = 15800, DM = 0, SH = -1209000000.0, IGHF = -5.4E+08, GEF = 1.472E+08, AS = 1097000, HFMP = 5.4894E+07, HOC = -1.479E+10, LiqDen = {105, 0.013821, 0.07087, 810, 0.13885, 0}, VP = {101, 118.4643, -17014.83, -12.51446, 1.109888E-07, 2}, LiqCp = {16, 397960, -97.814, 12.108, 0.0038156, -0.0000022229}, HOV = {106, 1.5462E+08, 0.24892, 1.8808, -2.829, 1.1319}, VapCp = {16, 318880, -569.39, 14.249, 0.00012213, -4.6983E-08}, LiqVis = {101, -64.748, 4433, 8.0272, -0.0000059771, 2}, VapVis = {102, 2.9788E-07, 0.59708, 514.64, 49388, 0}, LiqK = {16, 0.046069, -245.01, -0.62562, -0.0019192, -0.0000023135}, VapK = {102, -232.02, 1.063, -5.6529E+09, -8.4042E+10, 0}, Racketparam = 0.207, UniquacR = 16.639, UniquacQ = 13.576, ChaoSeadAF = 1.07102, ChaoSeadSP = 15800, ChaoSeadLV = 0.426088);
+end Ntetracosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntetradecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntetradecane.mo
new file mode 100644
index 0000000..b4b83f5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntetradecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ntetradecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 183, name = "Ntetradecane", CAS = "629-59-4", Tc = 693, Pc = 1570000, Vc = 0.894, Cc = 0.244, Tb = 526.76, Tm = 279.01, TT = 279.01, TP = 0.252685, MW = 198.392, LVB = 0.26132, AF = 0.644, SP = 16140, DM = 0, SH = -168070000.0, IGHF = -3.3244E+08, GEF = 6.599E+07, AS = 702590, HFMP = 4.507E+07, HOC = -8.73282E+09, LiqDen = {105, 0.26297, 0.23695, 693, 0.26861, 0}, VP = {101, 141.7696, -13265.67, -17.07041, 6.905252E-06, 2}, LiqCp = {16, 84257, 110.32, 11.507, 0.0033723, -0.0000011739}, HOV = {106, 1.216371E+08, 1.28014, -0.352636, -1.241735, 0.826459}, VapCp = {16, 204940, -657.01, 13.943, -0.00013248, 4.0902E-08}, LiqVis = {101, -84.61448, 4567.43, 11.25434, -0.0000111579, 2}, VapVis = {102, 3.4874E-09, 1.2039, -69.467, 11809, 0}, LiqK = {16, 0.039135, -208.63, -0.066493, -0.005844, 0.0000021711}, VapK = {102, -122.4, 0.86814, -5.5021E+08, -2.1347E+10, 0}, Racketparam = 0.234049, UniquacR = 9.895, UniquacQ = 8.176001, ChaoSeadAF = 0.6399, ChaoSeadSP = 16200.36, ChaoSeadLV = 0.2613);
+end Ntetradecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntricosane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntricosane.mo
new file mode 100644
index 0000000..3309bf9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntricosane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ntricosane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 210, name = "Ntricosane", CAS = "638-67-5", Tc = 818.25, Pc = 1290000, Vc = 1.307, Cc = 0.208, Tb = 653.15, Tm = 320.95, TT = 320.65, TP = 0.00186855, MW = 324.627, LVB = 0.4074, AF = 1.02617, SP = 15800, DM = 0, SH = -1209000000.0, IGHF = -5.192E+08, GEF = 1.39E+08, AS = 1064000, HFMP = 5.3974E+07, HOC = -1.417E+10, LiqDen = {105, 0.048866, 0.12922, 818.25, 0.20531, 0}, VP = {101, -22.08031, -9534.111, 8.274049, -0.0000125255, 2}, LiqCp = {16, -58655, -99.845, 13.754, 0.00030768, 3.7705E-07}, HOV = {106, 1.6434E+08, 1.0068, -0.55169, 0.31454, -0.3244}, VapCp = {16, 304710, -567.01, 14.201, 0.00012862, -4.8999E-08}, LiqVis = {101, -8.8394, 1949.8, -0.47088, 0.0000010446, 2}, VapVis = {102, 2.8518E-07, 0.61933, 704.01, 6598.3, 0}, LiqK = {16, -0.18218, 0.19147, -0.94906, -0.00035642, -3.5025E-07}, VapK = {102, -232.83, 1.0566, -5.2747E+09, -9.8604E+10, 0}, Racketparam = 0.208, UniquacR = 15.9646, UniquacQ = 13.036, ChaoSeadAF = 1.02617, ChaoSeadSP = 15800, ChaoSeadLV = 0.4074);
+end Ntricosane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntridecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntridecane.mo
new file mode 100644
index 0000000..3f6ed9f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ntridecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ntridecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 181, name = "Ntridecane", CAS = "629-50-5", Tc = 675, Pc = 1680000, Vc = 0.823, Cc = 0.246, Tb = 508.63, Tm = 267.76, TT = 267.76, TP = 0.250959, MW = 184.365, LVB = 0.24494, AF = 0.61, SP = 16060, DM = 0, SH = -168070000.0, IGHF = -3.1177E+08, GEF = 5.771E+07, AS = 663370, HFMP = 2.85E+07, HOC = -8.1229E+09, LiqDen = {105, 0.29787, 0.24164, 675, 0.29254, 0}, VP = {101, 143.3256, -12766.72, -17.45421, 7.99709E-06, 2}, LiqCp = {16, 37167, 123.48, 11.52, 0.0033147, -0.0000011194}, HOV = {106, 9.732822E+07, 0.667983, 0.462399, -1.329972, 0.649193}, VapCp = {16, 191240, -657.52, 13.861, -0.00011498, 3.3409E-08}, LiqVis = {101, -81.45907, 4309.552, 10.81921, -0.000011395, 2}, VapVis = {102, 3.0146E-08, 0.91936, 136.12, 2279.8, 0}, LiqK = {16, 0.037294, -193.16, -0.1108, -0.0058295, 0.0000022551}, VapK = {102, 0.0000050471, 1.4806, 553.99, 7554.4, 0}, Racketparam = 0.2465, UniquacR = 9.2206, UniquacQ = 7.636, ChaoSeadAF = 0.6002, ChaoSeadSP = 16139, ChaoSeadLV = 0.2449);
+end Ntridecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nundecane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nundecane.mo
new file mode 100644
index 0000000..0cba17f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Nundecane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Nundecane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 176, name = "Nundecane", CAS = "1120-21-4", Tc = 639, Pc = 1980000, Vc = 0.689, Cc = 0.257, Tb = 469.08, Tm = 247.571, TT = 247.571, TP = 0.408414, MW = 156.312, LVB = 0.21224, AF = 0.538, SP = 15880, DM = 0, SH = -168070000.0, IGHF = -2.7043E+08, GEF = 4.116E+07, AS = 584930, HFMP = 2.218E+07, HOC = -6.9036E+09, LiqDen = {105, 0.36785, 0.24938, 639, 0.28395, 0}, VP = {101, 128.8551, -11029.21, -15.54009, 8.030888E-06, 2}, LiqCp = {16, 208030, 521.1, 6.1551, 0.017086, -0.000013175}, HOV = {106, 8.9735E+07, 0.81788, 0.31647, -1.4781, 0.80673}, VapCp = {16, 177700, -730.83, 13.81, -0.00021088, 5.7776E-08}, LiqVis = {101, -92.575, 4408.9, 12.698, -0.000015556, 2}, VapVis = {102, 2.9213E-08, 0.9335, 118.62, -4363.8, 0}, LiqK = {16, 0.015185, -212.29, -0.044539, -0.0049614, 0.0000013629}, VapK = {102, 0.037608, 0.6852, 33443, 9124600, 0}, Racketparam = 0.243351, UniquacR = 7.871799, UniquacQ = 6.556, ChaoSeadAF = 0.521, ChaoSeadSP = 15934.45, ChaoSeadLV = 0.2122);
+end Nundecane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ocresol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ocresol.mo
new file mode 100644
index 0000000..9d6b6f8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ocresol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ocresol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 142, name = "Ocresol", CAS = "95-48-7", Tc = 697.6, Pc = 5000000, Vc = 0.282, Cc = 0.243, Tb = 464.17, Tm = 304.19, TT = 304.19, TP = 65.3261, MW = 108.14, LVB = 0.10364, AF = 0.435, SP = 22870, DM = 4.84E-30, SH = -168070000.0, IGHF = -1.2857E+08, GEF = -3.543E+07, AS = 352590, HFMP = 1.582E+07, HOC = -3.528E+09, LiqDen = {105, 1.1115, 0.30952, 697.6, 0.31161, 0}, VP = {101, 140.51, -11819, -17.163, 0.0000087043, 2}, LiqCp = {16, 146600, -116.23, 11.009, 0.0034596, -0.0000033446}, HOV = {106, 9.9721E+07, 1.0333, 0.08043, -1.2193, 0.58124}, VapCp = {16, 64367, -535.92, 12.871, -0.000033383, -2.2759E-09}, LiqVis = {101, -455.0775, 20670.83, 67.87773, -0.0000660983, 2}, VapVis = {102, 8.7371E-08, 0.80775, 98.538, -0.0034513, 0}, LiqK = {16, 0.065471, 92.351, -2.8415, 0.0012245, -0.0000029956}, VapK = {102, 0.00018648, 0.9302, 709.37, -0.0036596, 0}, Racketparam = 0, UniquacR = 4.7567, UniquacQ = 3.888, ChaoSeadAF = 0.433455, ChaoSeadSP = 23397.9, ChaoSeadLV = 0.104368);
+end Ocresol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ocymene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ocymene.mo
new file mode 100644
index 0000000..44dec09
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ocymene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ocymene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 291, name = "Ocymene", CAS = "527-84-4", Tc = 670.15, Pc = 2895870, Vc = 0.478, Cc = 0.26, Tb = 451.33, Tm = 201.64, TT = 201.64, TP = 0.0177118, MW = 134.218, LVB = 0.153824, AF = 0.2769, SP = 17160, DM = 2.0E-30, SH = -1209000000.0, IGHF = -2.56061E+07, GEF = 1.37359E+08, AS = 425500, HFMP = 1.0E+07, HOC = -5.56053E+09, LiqDen = {105, 0.017298, 0.046645, 670.15, 0.11526, 0}, VP = {101, 47.323, -6536.6, -3.5074, 6.0254E-07, 2}, LiqCp = {16, 130330, -123.14, 10.583, 0.0062464, -0.0000049954}, HOV = {106, 8.44827E+07, 3.205721, -8.334975, 9.055186, -3.399515}, VapCp = {16, 105060, -664.9, 13.437, -0.00013826, 2.1794E-08}, LiqVis = {101, -8.1679, 885.64, -0.29176, -7.7161E-07, 2}, VapVis = {102, 0.0000020745, 0.37852, 642.92, 259.27, 0}, LiqK = {16, 0.06145, -173.56, -0.23519, -0.0077758, 0.0000038715}, VapK = {102, 0.000020459, 1.2217, 183.94, 51167, 0}, Racketparam = 0.26, UniquacR = 6.0058, UniquacQ = 4.612, ChaoSeadAF = 0.2769, ChaoSeadSP = 17160, ChaoSeadLV = 0.153824);
+end Ocymene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Odichlorobenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Odichlorobenzene.mo
new file mode 100644
index 0000000..4ad7a9b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Odichlorobenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Odichlorobenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 119, name = "Odichlorobenzene", CAS = "95-50-1", Tc = 705, Pc = 4070000, Vc = 0.351, Cc = 0.244, Tb = 453.57, Tm = 256.15, TT = 256.15, TP = 6.48939, MW = 147.002, LVB = 0.112969, AF = 0.219189, SP = 20310, DM = 8.34E-30, SH = -168070000.0, IGHF = 3.02E+07, GEF = 8.29E+07, AS = 341850, HFMP = 1.266E+07, HOC = -2.826E+09, LiqDen = {105, 0.74261, 0.26108, 705, 0.30655, 0}, VP = {101, 75.75983, -8226.762, -7.552754, 6.191298E-07, 2}, LiqCp = {16, 127840, -59.156, 8.3728, 0.0093569, -0.0000051714}, HOV = {106, 8.774E+07, 2.8227, -6.8433, 7.6547, -3.1275}, VapCp = {16, 55560, -490.51, 12.648, -0.00012186, 2.1792E-08}, LiqVis = {101, -37.699, 2377, 4.0848, -0.0000020768, 2}, VapVis = {102, 1.6041E-07, 0.76289, 205.1, -39.728, 0}, LiqK = {16, 0.06919, -379.09, 0.89948, -0.0099037, 0.0000041677}, VapK = {102, -1200.2, 0.7235, -2.8422E+09, -8.8684E+10, 0}, Racketparam = 0.271326, UniquacR = 4.4376, UniquacQ = 3.288, ChaoSeadAF = 0.214215, ChaoSeadSP = 20271.3, ChaoSeadLV = 0.11318);
+end Odichlorobenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Odiethylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Odiethylbenzene.mo
new file mode 100644
index 0000000..8b57d56
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Odiethylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Odiethylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 294, name = "Odiethylbenzene", CAS = "135-01-3", Tc = 668, Pc = 2880000, Vc = 0.502, Cc = 0.26, Tb = 456.573, Tm = 241.91, TT = 241.929, TP = 1.04119, MW = 134.2182, LVB = 0.15328, AF = 0.3879, SP = 17760, DM = 1.96803E-30, SH = -1209000000.0, IGHF = -1.89535E+07, GEF = 1.41084E+08, AS = 434800, HFMP = 1.67778E+07, HOC = -5.5596E+09, LiqDen = {105, 0.52086, 0.25389, 668, 0.28666, 0}, VP = {101, 136.1844, -10760.78, -16.88233, 0.0000109939, 2}, LiqCp = {16, 13731, 7.9227, 11.237, 0.004718, -0.0000037106}, HOV = {106, 4.4827E+07, -1.9073, 6.1295, -6.3772, 2.4857}, VapCp = {16, 122330, -723.39, 13.531, -0.00028953, 7.2562E-08}, LiqVis = {101, -13.971, 1608.7, 0.32395, -5.0533E-07, 2}, VapVis = {102, 4.8451E-08, 0.84013, -72.915, 24855, 0}, LiqK = {16, -0.047218, -11.073, -1.4189, -0.00077787, -7.5252E-07}, VapK = {102, 0.000087851, 1.0397, 505.4, 47466, 0}, Racketparam = 0.26, UniquacR = 6.0066, UniquacQ = 4.616, ChaoSeadAF = 0.3879, ChaoSeadSP = 17760, ChaoSeadLV = 0.15328);
+end Odiethylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oethyltoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oethyltoluene.mo
new file mode 100644
index 0000000..5cd133c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oethyltoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Oethyltoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 282, name = "Oethyltoluene", CAS = "611-14-3", Tc = 651.15, Pc = 3040000, Vc = 0.46, Cc = 0.26, Tb = 438.33, Tm = 192.35, TT = 192.35, TP = 0.00376669, MW = 120.192, LVB = 0.136967, AF = 0.2941, SP = 18090, DM = 1.87E-30, SH = -1209000000.0, IGHF = 1213360, GEF = 1.31055E+08, AS = 399350, HFMP = 9962100, HOC = -4.94607E+09, LiqDen = {105, 0.37928, 0.20513, 651.15, 0.23356, 0}, VP = {101, 96.1971, -8650.261, -10.86209, 5.918239E-06, 2}, LiqCp = {16, -102370, -26.419, 12.162, 0.0026059, -0.000002126}, HOV = {106, 8.227273E+07, 1.968046, -3.535916, 3.107317, -1.061436}, VapCp = {16, 85432, -569.61, 13.054, 0.000095945, -4.3717E-08}, LiqVis = {101, -10.303, 1378.1, -0.24629, 5.1436E-07, 2}, VapVis = {102, 4.4089E-07, 0.56719, 270.1, -4560.2, 0}, LiqK = {16, -0.059289, 4.2071, -1.4739, -0.00039236, -0.0000010623}, VapK = {102, 0.000092842, 1.0422, 544.16, 63099, 0}, Racketparam = 0.26, UniquacR = 5.3322, UniquacQ = 4.076, ChaoSeadAF = 0.2941, ChaoSeadSP = 18090, ChaoSeadLV = 0.136967);
+end Oethyltoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneFourbutanediol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneFourbutanediol.mo
new file mode 100644
index 0000000..39d501d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneFourbutanediol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneFourbutanediol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 347, name = "OneFourbutanediol", CAS = "110-63-4", Tc = 667, Pc = 4880000, Vc = 0.297, Cc = 0.261, Tb = 501.15, Tm = 293.05, TT = 293.05, TP = 0.437872, MW = 90.121, LVB = 0.0888513, AF = 1.17696, SP = 28850, DM = 1.31E-29, SH = -216400000.0, IGHF = -4.267E+08, GEF = -2.78E+08, AS = 381000, HFMP = 1.63E+07, HOC = -2.2801E+09, LiqDen = {105, 0.87669, 0.26038, 667, 0.18382, 0}, VP = {101, 273.87, -20688, -36.39, 0.000020662, 2}, LiqCp = {16, -147300, -151.29, 13.013, 0.00082927, -4.8483E-07}, HOV = {106, 8.835E+07, 0.2441, 0, 0, 0}, VapCp = {16, 78857, -613.48, 12.793, -0.00013274, 6.7309E-08}, LiqVis = {101, -135.2818, 9167.078, 18.06409, -0.0000115446, 2}, VapVis = {102, 1.0592E-07, 0.79673, 195.38, -19182, 0}, LiqK = {16, 0.17847, -272.57, -0.42428, -0.0080796, 0.0000034419}, VapK = {102, -0.69878, 0.86746, -2810400, -7.1005E+07, 0}, Racketparam = 0.261, UniquacR = 4.6976, UniquacQ = 4.56, ChaoSeadAF = 1.17696, ChaoSeadSP = 28850, ChaoSeadLV = 0.0888513);
+end OneFourbutanediol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneFourdioxane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneFourdioxane.mo
new file mode 100644
index 0000000..3e03ca9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneFourdioxane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneFourdioxane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 85, name = "OneFourdioxane", CAS = "123-91-1", Tc = 587, Pc = 5170000, Vc = 0.238, Cc = 0.255, Tb = 374.5, Tm = 284.95, TT = 284.95, TP = 2532.46, MW = 88.106, LVB = 0.08529, AF = 0.279262, SP = 20540, DM = 0, SH = -17100000.0, IGHF = -3.158E+08, GEF = -1.816E+08, AS = 300120, HFMP = 1.284E+07, HOC = -2.1863E+09, LiqDen = {105, 1.0039, 0.25926, 587, 0.28278, 0}, VP = {101, 50.11504, -5577.21, -4.046854, 2.080567E-06, 2}, LiqCp = {16, 151550, -65314, 519.35, -1.3402, 0.0011989}, HOV = {106, 2.1367E+08, 9.1812, -22.992, 23.854, -9.34}, VapCp = {16, 46250, -613.41, 12.822, 0.000004782, -2.2238E-08}, LiqVis = {101, -79.28, 4198.4, 10.393, -0.0000085568, 2}, VapVis = {102, 2.7334E-07, 0.7393, 129.93, -0.0004206, 0}, LiqK = {16, 0.089834, 46.421, -1.1898, -0.0037338, -0.0000061358}, VapK = {102, 2.3873E-07, 1.8505, -94.575, 7804.2, 0}, Racketparam = 0.254, UniquacR = 3.07, UniquacQ = 2.28, ChaoSeadAF = 0.280373, ChaoSeadSP = 20163.3, ChaoSeadLV = 0.0856635);
+end OneFourdioxane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOneTwotrichloroethane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOneTwotrichloroethane.mo
new file mode 100644
index 0000000..02a3601
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOneTwotrichloroethane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneOneTwotrichloroethane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 41, name = "OneOneTwotrichloroethane", CAS = "79-00-5", Tc = 602, Pc = 4480000, Vc = 0.281, Cc = 0.252, Tb = 387, Tm = 236.5, TT = 236.5, TP = 44.7475, MW = 133.404, LVB = 0.0929898, AF = 0.259135, SP = 19890, DM = 4.17E-30, SH = 28450000.0, IGHF = -1.42E+08, GEF = -8.097E+07, AS = 337100, HFMP = 1.13E+07, HOC = -9.685E+08, LiqDen = {105, 0.9055, 0.25465, 602, 0.30987, 0}, VP = {101, 66.05096, -6428.165, -6.44717, 3.27127E-06, 2}, LiqCp = {16, 121000, 433.16, 2.2235, 0.034423, -0.000040901}, HOV = {106, 5.0503E+07, 0.64021, -1.1382, 1.5379, -0.66031}, VapCp = {16, 56506, -535.36, 12.166, -0.00021958, 4.8605E-08}, LiqVis = {101, -26.218, 1571.3, 2.5992, -0.0000081378, 2}, VapVis = {102, 2.8974E-07, 0.68713, 200.47, -854.38, 0}, LiqK = {16, -0.027258, -78.724, -0.73941, -0.0030401, 8.8565E-07}, VapK = {102, 0.000095455, 1.0427, 1258.3, -2960.2, 0}, Racketparam = 0.267821, UniquacR = 3.526, UniquacQ = 2.948, ChaoSeadAF = 0.259768, ChaoSeadSP = 19818.9, ChaoSeadLV = 0.0929898);
+end OneOneTwotrichloroethane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOnedichloroethane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOnedichloroethane.mo
new file mode 100644
index 0000000..b1c0ee8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOnedichloroethane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneOnedichloroethane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 44, name = "OneOnedichloroethane", CAS = "75-34-3", Tc = 523, Pc = 5100000, Vc = 0.236, Cc = 0.277, Tb = 330.45, Tm = 176.19, TT = 176.19, TP = 2.21455, MW = 98.959, LVB = 0.08473, AF = 0.244, SP = 18300, DM = 6.87E-30, SH = 52510000.0, IGHF = -1.2941E+08, GEF = -7.259E+07, AS = 305010, HFMP = 7870000, HOC = -1.1104E+09, LiqDen = {105, 1.1057, 0.26536, 523, 0.28703, 0}, VP = {101, 66.53401, -5492.415, -6.715993, 5.298782E-06, 2}, LiqCp = {16, 115470, 479.34, 1.2009, 0.029511, -0.000025794}, HOV = {106, 4.458773E+07, 0.555838, 0.0209485, -0.722234, 0.56963}, VapCp = {16, 45661, -449.92, 11.802, 0.00015496, -5.3829E-08}, LiqVis = {101, -9.7803, 891.16, -0.14866, -3.5884E-07, 2}, VapVis = {102, 0.0000001814, 0.74706, 93.461, 1513.7, 0}, LiqK = {16, 0.011357, -64.086, -0.98127, -0.0039469, 6.6106E-07}, VapK = {102, 0.00013381, 1.01, 1042.5, -2442, 0}, Racketparam = 0, UniquacR = 2.9617, UniquacQ = 2.532, ChaoSeadAF = 0.244612, ChaoSeadSP = 18299.2, ChaoSeadLV = 0.0847207);
+end OneOnedichloroethane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOnedimethylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOnedimethylcyclohexane.mo
new file mode 100644
index 0000000..9ee60ce
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOnedimethylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneOnedimethylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 274, name = "OneOnedimethylcyclohexane", CAS = "590-66-9", Tc = 591.15, Pc = 2938430, Vc = 0.45, Cc = 0.269, Tb = 392.69, Tm = 239.66, TT = 239.66, TP = 60.5841, MW = 112.213, LVB = 0.144469, AF = 0.2376, SP = 15670, DM = 0, SH = -1209000000.0, IGHF = -1.81E+08, GEF = 3.52293E+07, AS = 365012, HFMP = 2020870, HOC = -4.8639E+09, LiqDen = {105, 0.55073, 0.24971, 591.15, 0.27534, 0}, VP = {101, 81.518, -6942.5, -8.9, 0.0000054941, 2}, LiqCp = {16, 108760, -1.4419, 9.7271, 0.0071596, -0.0000038148}, HOV = {106, 7.5815E+07, 2.7664, -6.0218, 6.1598, -2.4093}, VapCp = {16, 97627, -847.07, 13.952, -0.00053736, 1.4024E-07}, LiqVis = {101, -7.7034, 1042.4, -0.53177, 8.3765E-07, 2}, VapVis = {102, 7.8141E-07, 0.4995, 371.04, 124.2, 0}, LiqK = {16, -0.0057011, -80.549, -0.98212, -0.0030094, 4.8733E-07}, VapK = {102, 0.01079, 0.39433, -74.36, 805370, 0}, Racketparam = 0.269, UniquacR = 5.3937, UniquacQ = 4.396, ChaoSeadAF = 0.2376, ChaoSeadSP = 15670, ChaoSeadLV = 0.144469);
+end OneOnedimethylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOnedimethylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOnedimethylcyclopentane.mo
new file mode 100644
index 0000000..0456ca3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneOnedimethylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneOnedimethylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 266, name = "OneOnedimethylcyclopentane", CAS = "1638-26-2", Tc = 547, Pc = 3445000, Vc = 0.36, Cc = 0.273, Tb = 361, Tm = 203.36, TT = 203.68, TP = 9.04909, MW = 98.1861, LVB = 0.130925, AF = 0.272354, SP = 15460, DM = 0, SH = -1209000000.0, IGHF = -1.3828E+08, GEF = 3.9037E+07, AS = 359280, HFMP = 1080000, HOC = -4.2752E+09, LiqDen = {105, 0.77031, 0.27731, 547, 0.30161, 0}, VP = {101, 80.69439, -6444.768, -8.840923, 5.777915E-06, 2}, LiqCp = {16, 63403, -76.912, 11.112, 0.0033685, -0.0000013786}, HOV = {106, 6.4753E+07, 1.835, -2.4221, 1.0097, 0.083052}, VapCp = {16, 84040, -831.97, 13.78, -0.00060484, 0.0000001825}, LiqVis = {101, -7.8132, 901.76, -0.51373, 0.0000011607, 2}, VapVis = {102, 0.0000055348, 0.28035, 888.45, 60.9, 0}, LiqK = {16, -0.012548, -26.729, -1.3811, -0.0017046, -8.8213E-07}, VapK = {102, 0.0025566, 0.60638, 165.73, 477660, 0}, Racketparam = 0.273, UniquacR = 4.7193, UniquacQ = 3.856, ChaoSeadAF = 0.272354, ChaoSeadSP = 15460, ChaoSeadLV = 0.130925);
+end OneOnedimethylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneThreebutadiene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneThreebutadiene.mo
new file mode 100644
index 0000000..6e36414
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneThreebutadiene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneThreebutadiene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 77, name = "OneThreebutadiene", CAS = "106-99-0", Tc = 425, Pc = 4320000, Vc = 0.221, Cc = 0.27, Tb = 268.62, Tm = 164.25, TT = 164.25, TP = 69.1989, MW = 54.092, LVB = 0.08804, AF = 0.195, SP = 14460, DM = 0, SH = 109240000.0, IGHF = 1.0924E+08, GEF = 1.4972E+08, AS = 278890, HFMP = 7984000, HOC = -2.409E+09, LiqDen = {105, 1.3314, 0.28213, 425, 0.30137, 0}, VP = {101, 64.81816, -4314.788, -6.766483, 8.589719E-06, 2}, LiqCp = {16, 88166, 583.44, 1.8231, 0.030118, -0.000025695}, HOV = {106, 3.4211E+07, 0.45981, 0.016247, -0.15407, 0.054476}, VapCp = {16, 38238.49, -511.235, 12.39338, -0.000121482, 4.39211E-08}, LiqVis = {101, 12.653, -139.12, -3.6735, -0.0000014093, 2}, VapVis = {102, 3.4426E-07, 0.6407, 174.17, -2393.4, 0}, LiqK = {16, -0.096853, 19.016, -1.4201, 0.00020099, -0.0000029536}, VapK = {102, -18588, 0.94195, -7.31E+10, -9.6975E+11, 0}, Racketparam = 0.2713, UniquacR = 2.6908, UniquacQ = 2.352, ChaoSeadAF = 0.2028, ChaoSeadSP = 14195.77, ChaoSeadLV = 0.088);
+end OneThreebutadiene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoFourFivetetramethylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoFourFivetetramethylbenzene.mo
new file mode 100644
index 0000000..b015054
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoFourFivetetramethylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneTwoFourFivetetramethylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 299, name = "OneTwoFourFivetetramethylbenzene", CAS = "95-93-2", Tc = 676, Pc = 2900000, Vc = 0.482, Cc = 0.249, Tb = 470, Tm = 352.384, TT = 352.384, TP = 1784.79, MW = 134.221, LVB = 0.15228, AF = 0.423, SP = 17140, DM = 0, SH = -1209000000.0, IGHF = -4.527E+07, GEF = 1.177E+08, AS = 418500, HFMP = 2.1E+07, HOC = -5.507E+09, LiqDen = {105, 0.65779, 0.28461, 677.16, 0.31429, 0}, VP = {101, 96.028, -9355.7, -10.676, 0.0000049509, 2}, LiqCp = {16, 139940, 1169.1, 1.2977, 0.02859, -0.000023286}, HOV = {106, 1.607707E+08, 4.915197, -10.37671, 9.303886, -3.220797}, VapCp = {16, 110940, -562.53, 13.019, 0.00027207, -1.0669E-07}, LiqVis = {101, -9.4175, 1452.8, -0.39341, 2.9469E-07, 2}, VapVis = {102, 7.2635E-07, 0.49106, 324.48, 3435.1, 0}, LiqK = {16, 0.023024, -350.01, 0.1946, -0.0044419, 6.7822E-07}, VapK = {102, 0.000066062, 1.0649, 306.1, 93850, 0}, Racketparam = 0.249, UniquacR = 6.1278, UniquacQ = 4.672, ChaoSeadAF = 0.423, ChaoSeadSP = 17140, ChaoSeadLV = 0.15228);
+end OneTwoFourFivetetramethylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoFourtrichlorobenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoFourtrichlorobenzene.mo
new file mode 100644
index 0000000..98c07ba
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoFourtrichlorobenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneTwoFourtrichlorobenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 117, name = "OneTwoFourtrichlorobenzene", CAS = "120-82-1", Tc = 725, Pc = 3720000, Vc = 0.395, Cc = 0.244, Tb = 486.15, Tm = 290.15, TT = 290.15, TP = 33.0937, MW = 181.447, LVB = 0.12525, AF = 0.358106, SP = 20620, DM = 4.20291E-30, SH = -168070000.0, IGHF = -1.1757E+07, GEF = 4.30523E+07, AS = 380911, HFMP = 1.55647E+07, HOC = -2.65632E+09, LiqDen = {105, 0.61713, 0.2524, 725, 0.2857, 0}, VP = {101, 47.20405, -7460.647, -3.164866, -3.316432E-06, 2}, LiqCp = {16, 145370, 234.69, 6.2789, 0.017012, -0.000015675}, HOV = {106, 6.897E+07, 0.4026, 0, 0, 0}, VapCp = {16, 63130, -426.63, 12.569, -0.000095696, 1.4713E-08}, LiqVis = {101, -241, 9893.2, 36.115, -0.000047458, 2}, VapVis = {102, 9.2097E-08, 0.80621, 99.511, 1477.5, 0}, LiqK = {16, 0.070105, -290.72, -0.20366, -0.0074415, 0.0000024779}, VapK = {102, -743.07, 0.74159, -2.1746E+09, -6.4502E+10, 0}, Racketparam = 0.259136, UniquacR = 5.0625, UniquacQ = 3.732, ChaoSeadAF = 0.358106, ChaoSeadSP = 20618.1, ChaoSeadLV = 0.12525);
+end OneTwoFourtrichlorobenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoFourtrimethylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoFourtrimethylbenzene.mo
new file mode 100644
index 0000000..5d0bfdf
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoFourtrimethylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneTwoFourtrimethylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 286, name = "OneTwoFourtrimethylbenzene", CAS = "95-63-6", Tc = 649.1, Pc = 3232000, Vc = 0.435, Cc = 0.256, Tb = 442.49, Tm = 229.38, TT = 229.33, TP = 0.69347, MW = 120.194, LVB = 0.136, AF = 0.377, SP = 18090, DM = 1.0E-30, SH = -1209000000.0, IGHF = -1.392E+07, GEF = 1.17E+08, AS = 395870, HFMP = 1.319E+07, HOC = -4.93067E+09, LiqDen = {105, 0.61782, 0.26243, 649.1, 0.28053, 0}, VP = {101, 60.23044, -7113.208, -5.408973, 1.637451E-06, 2}, LiqCp = {16, 159260, 100.48, 7.176, 0.015511, -0.000013842}, HOV = {106, 6.6212E+07, 0.612793, 0.157992, -1.024462, 0.66352}, VapCp = {16, 86220, -588.22, 13.049, 0.00013217, -6.3042E-08}, LiqVis = {101, -22.655, 1676.9, 1.8204, -0.0000040799, 2}, VapVis = {102, 9.0311E-07, 0.47728, 388.95, -1321.5, 0}, LiqK = {16, -0.097311, -7.9329, -1.1933, -0.00075728, -4.2291E-07}, VapK = {102, 0.000071734, 1.0715, 503.12, 48355, 0}, Racketparam = 0.256, UniquacR = 5.3928, UniquacQ = 4.104, ChaoSeadAF = 0.377, ChaoSeadSP = 18090, ChaoSeadLV = 0.136);
+end OneTwoFourtrimethylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoThreeFivetetramethylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoThreeFivetetramethylbenzene.mo
new file mode 100644
index 0000000..5b816f0
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoThreeFivetetramethylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneTwoThreeFivetetramethylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 298, name = "OneTwoThreeFivetetramethylbenzene", CAS = "527-53-7", Tc = 679, Pc = 3220000, Vc = 0.436, Cc = 0.254, Tb = 471.15, Tm = 249.46, TT = 249.46, TP = 0.886139, MW = 134.218, LVB = 0.151385, AF = 0.459061, SP = 18330, DM = 0, SH = -1209000000.0, IGHF = -4.054E+07, GEF = 1.231E+08, AS = 422500, HFMP = 1.072E+07, HOC = -5.532E+09, LiqDen = {105, 0.5261, 0.25428, 679, 0.28565, 0}, VP = {101, 108.28, -9936.6, -12.519, 0.0000062754, 2}, LiqCp = {16, 180380, -63.604, 9.2496, 0.0072443, -0.0000031051}, HOV = {106, 6.6549E+07, 0.31372, 0.25924, -0.3264, 0.12301}, VapCp = {16, 109230, -579.21, 13.116, 0.00014705, -5.951E-08}, LiqVis = {101, -14.031, 1747.6, 0.263, -3.7653E-07, 2}, VapVis = {102, 6.7114E-07, 0.50662, 335.88, -402.07, 0}, LiqK = {16, -0.064932, -8.9077, -1.3593, -0.00066705, -6.8372E-07}, VapK = {102, 0.000082384, 1.0555, 595.15, 34335, 0}, Racketparam = 0.254, UniquacR = 6.1278, UniquacQ = 4.672, ChaoSeadAF = 0.426, ChaoSeadSP = 18330, ChaoSeadLV = 0.151385);
+end OneTwoThreeFivetetramethylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoThreeFourtetramethylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoThreeFourtetramethylbenzene.mo
new file mode 100644
index 0000000..02c7769
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoThreeFourtetramethylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneTwoThreeFourtetramethylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 297, name = "OneTwoThreeFourtetramethylbenzene", CAS = "488-23-3", Tc = 690, Pc = 2860000, Vc = 0.482, Cc = 0.256, Tb = 478.19, Tm = 266.9, TT = 266.9, TP = 2.9878, MW = 134.218, LVB = 0.149073, AF = 0.417172, SP = 18860, DM = 1.66E-30, SH = -1209000000.0, IGHF = -3.305E+07, GEF = 1.324E+08, AS = 416500, HFMP = 1.123E+07, HOC = -5.5376E+09, LiqDen = {105, 0.62671, 0.276, 690, 0.30501, 0}, VP = {101, 103.3938, -9866.6, -11.74655, 5.432648E-06, 2}, LiqCp = {16, 191090, -1527.7, 20.231, -0.019977, 0.000019333}, HOV = {106, 6.827737E+07, 0.20659, 0.354625, 0.156354, -0.400825}, VapCp = {16, 108680, -536.06, 13.006, 0.00026578, -1.0197E-07}, LiqVis = {101, -12.555, 1810.8, 0.0032112, -3.0199E-09, 2}, VapVis = {102, 8.0975E-08, 0.80432, 144.14, -8326.5, 0}, LiqK = {16, -0.046705, -31.572, -1.2356, -0.0012463, -2.6103E-07}, VapK = {102, 0.0001001, 1.0331, 653.92, 21466, 0}, Racketparam = 0.256, UniquacR = 6.1278, UniquacQ = 4.672, ChaoSeadAF = 0.417172, ChaoSeadSP = 18860, ChaoSeadLV = 0.149073);
+end OneTwoThreeFourtetramethylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoThreetrimethylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoThreetrimethylbenzene.mo
new file mode 100644
index 0000000..fb73be8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwoThreetrimethylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneTwoThreetrimethylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 285, name = "OneTwoThreetrimethylbenzene", CAS = "526-73-8", Tc = 664.5, Pc = 3454000, Vc = 0.435, Cc = 0.267, Tb = 449.23, Tm = 247.79, TT = 247.79, TP = 3.70834, MW = 120.194, LVB = 0.13322, AF = 0.367, SP = 18480, DM = 1.87E-30, SH = -1209000000.0, IGHF = -9568810, GEF = 1.244E+08, AS = 380500, HFMP = 8170000, HOC = -4.93394E+09, LiqDen = {105, 0.47081, 0.22935, 664.5, 0.22914, 0}, VP = {101, 103.4032, -9139.734, -11.94112, 6.875135E-06, 2}, LiqCp = {16, 158190, -110.87, 9.7005, 0.0066246, -0.000003875}, HOV = {106, 5.897E+07, 0.31296, 0.11034, -0.18707, 0.12203}, VapCp = {16, 97344, -642.53, 13.123, 0.000061931, -4.6438E-08}, LiqVis = {101, -13.622, 1547.6, 0.25604, -4.4218E-07, 2}, VapVis = {102, 7.8569E-07, 0.49843, 362.98, -102.15, 0}, LiqK = {16, 0.066267, 303.46, -5.2163, 0.0092731, -0.000014825}, VapK = {102, 0.000093303, 1.0419, 539.24, 56545, 0}, Racketparam = 0.267, UniquacR = 5.3928, UniquacQ = 4.104, ChaoSeadAF = 0.367, ChaoSeadSP = 18480, ChaoSeadLV = 0.13322);
+end OneTwoThreetrimethylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwobutadiene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwobutadiene.mo
new file mode 100644
index 0000000..01253e9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwobutadiene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneTwobutadiene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 76, name = "OneTwobutadiene", CAS = "590-19-2", Tc = 452, Pc = 4360000, Vc = 0.22, Cc = 0.255, Tb = 284, Tm = 136.95, TT = 136.95, TP = 0.4472, MW = 54.0904, LVB = 0.0838169, AF = 0.165877, SP = 15650, DM = 1.34E-30, SH = 162300000.0, IGHF = 1.623E+08, GEF = 1.986E+08, AS = 293000, HFMP = 6962000, HOC = -2.4617E+09, LiqDen = {105, 0.86492, 0.22148, 452, 0.28373, 0}, VP = {101, 53.27585, -4559.624, -4.46417, -6.771964E-06, 2}, LiqCp = {16, 109750, -2425.1, 12.655, 0.059068, -0.00014415}, HOV = {106, 3.715905E+07, 0.824251, 0.000387028, -2.253417, 2.024613}, VapCp = {16, 39504.04, -354.1475, 11.62099, 0.00074321, -2.513775E-07}, LiqVis = {101, -9.9134, 468.65, -0.069814, 2.8031E-07, 2}, VapVis = {102, 6.4328E-07, 0.52378, 170.73, 9690.7, 0}, LiqK = {16, -0.29344, 3.1314, -0.70701, -0.00052702, -3.6665E-07}, VapK = {102, 0.000085434, 1.0359, 127.53, 78342, 0}, Racketparam = 0, UniquacR = 2.466, UniquacQ = 2.024, ChaoSeadAF = 0.3394, ChaoSeadSP = 16360.6, ChaoSeadLV = 0.0816506);
+end OneTwobutadiene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwodichloroethane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwodichloroethane.mo
new file mode 100644
index 0000000..9ffd6e9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwodichloroethane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneTwodichloroethane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 45, name = "OneTwodichloroethane", CAS = "107-06-2", Tc = 561, Pc = 5400000, Vc = 0.22, Cc = 0.255, Tb = 356.66, Tm = 237.49, TT = 237.49, TP = 237.127, MW = 98.959, LVB = 0.07945, AF = 0.286, SP = 20260, DM = 4.8E-30, SH = 52510000.0, IGHF = -1.2979E+08, GEF = -7.3945E+07, AS = 308280, HFMP = 8830000, HOC = -1.105E+09, LiqDen = {105, 1.1942, 0.27053, 561.61, 0.29157, 0}, VP = {101, 81.47902, -6503.169, -8.960273, 7.32894E-06, 2}, LiqCp = {16, 92757, 224.15, 8.5223, 0.0025656, 0.000005106}, HOV = {106, 5.072427E+07, 0.517321, 0.205828, -0.637156, 0.265499}, VapCp = {16, 62073, -758.84, 12.345, -0.0004196, 0.0000001146}, LiqVis = {101, 25.747, -385.45, -5.5912, 0.0000027937, 2}, VapVis = {102, 1.1983E-07, 0.79504, 20.791, 14003, 0}, LiqK = {16, 0.015945, -110.67, -0.74013, -0.0032664, -5.0786E-07}, VapK = {102, 0.00023592, 0.93945, 1368.6, 23794, 0}, Racketparam = 0, UniquacR = 2.88, UniquacQ = 2.52, ChaoSeadAF = 0.2876, ChaoSeadSP = 20249.5, ChaoSeadLV = 0.0794424);
+end OneTwodichloroethane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwopropyleneoxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwopropyleneoxide.mo
new file mode 100644
index 0000000..4c71ffc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OneTwopropyleneoxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OneTwopropyleneoxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 409, name = "OneTwopropyleneoxide", CAS = "75-56-9", Tc = 482.25, Pc = 4920000, Vc = 0.186, Cc = 0.228, Tb = 307.05, Tm = 161.22, TT = 161.22, TP = 0.965624, MW = 58.0791, LVB = 0.0705481, AF = 0.268304, SP = 19050, DM = 6.7E-30, SH = -61100000.0, IGHF = -9.372E+07, GEF = -2.58E+07, AS = 286700, HFMP = 6531000, HOC = -1.79E+09, LiqDen = {105, 1.5769, 0.28598, 482.25, 0.29139, 0}, VP = {101, 83.693, -5715.8, -9.522, 0.00001033, 2}, LiqCp = {16, 78704, 274.26, 7.2963, 0.0088641, -0.0000023407}, HOV = {106, 5.241305E+07, 1.339985, -1.496096, 0.72766, -0.151947}, VapCp = {16, 42195, -578.73, 12.252, 0.00010777, -4.7082E-08}, LiqVis = {101, 20.905, 283.5, -5.5156, 0.000016261, 2}, VapVis = {102, 1.1059E-07, 0.81831, 109.91, -5863.4, 0}, LiqK = {16, 0.10066, 294.75, -5.9561, 0.019433, -0.000039547}, VapK = {102, 0.00022671, 0.95467, 579.31, 32798, 0}, Racketparam = 0.228, UniquacR = 2.2663, UniquacQ = 1.856, ChaoSeadAF = 0.268304, ChaoSeadSP = 19050, ChaoSeadLV = 0.0705481);
+end OneTwopropyleneoxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onebutanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onebutanol.mo
new file mode 100644
index 0000000..ec9e3d6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onebutanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onebutanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 94, name = "Onebutanol", CAS = "71-36-3", Tc = 563.05, Pc = 4423000, Vc = 0.275, Cc = 0.26, Tb = 390.88, Tm = 183.85, TT = 184.51, TP = 0.000320123, MW = 74.123, LVB = 0.09196, AF = 0.591, SP = 23510, DM = 5.83737E-30, SH = -134990000.0, IGHF = -2.746E+08, GEF = -1.503E+08, AS = 361480, HFMP = 9372000, HOC = -2.45601E+09, LiqDen = {105, 0.7931, 0.24201, 563.05, 0.22263, 0}, VP = {101, 94.3424, -9140.942, -10.0038, 1.706963E-06, 2}, LiqCp = {16, 118540, 928.1, -3.4067, 0.053827, -0.000053611}, HOV = {106, 1.03317E+08, 2.061287, -3.612692, 3.240107, -1.125287}, VapCp = {16, 63521, -568.25, 12.587, 0.0001566, -5.9966E-08}, LiqVis = {101, -44.688, 3409.1, 4.8758, -0.0000057302, 2}, VapVis = {102, 0.0000014735, 0.46162, 554.37, 6760.2, 0}, LiqK = {16, 0.019408, -19.063, -1.4625, -0.0014843, -4.7683E-07}, VapK = {102, 0.00022746, 1.1142, 3597.3, -411420, 0}, Racketparam = 0.2538, UniquacR = 3.4543, UniquacQ = 3.052, ChaoSeadAF = 0.593, ChaoSeadSP = 23289.2, ChaoSeadLV = 0.0919432);
+end Onebutanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onebutene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onebutene.mo
new file mode 100644
index 0000000..a9c09ba
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onebutene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onebutene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 78, name = "Onebutene", CAS = "106-98-9", Tc = 419.5, Pc = 4020000, Vc = 0.2408, Cc = 0.278, Tb = 266.92, Tm = 87.8, TT = 87.8, TP = 0.000000694, MW = 56.108, LVB = 0.09534, AF = 0.194, SP = 13630, DM = 1.13E-30, SH = -500000.0, IGHF = -500000, GEF = 7.041E+07, AS = 307400, HFMP = 3848000, HOC = -2.5408E+09, LiqDen = {105, 0.98, 0.25169, 419.54, 0.26645, 0}, VP = {101, 41.66588, -3605.004, -2.983562, 6.665773E-07, 2}, LiqCp = {16, 100270, 86.345, 7.7333, 0.00096546, 0.000020281}, HOV = {106, 3.5338E+07, 0.68186, -0.28099, -0.25369, 0.26017}, VapCp = {16, 53529, -619.26, 12.431, 0.000096632, -3.9013E-08}, LiqVis = {101, -10.764, 591.51, -0.0017307, 2.5723E-08, 2}, VapVis = {102, 7.0347E-07, 0.54535, 308.83, -232.73, 0}, LiqK = {16, 0.071267, 99.471, -4.2011, 0.014325, -0.000041157}, VapK = {102, 0.000092115, 1.1181, 717.19, 13037, 0}, Racketparam = 0.2736, UniquacR = 2.92, UniquacQ = 2.56, ChaoSeadAF = 0.2085, ChaoSeadSP = 13827.58, ChaoSeadLV = 0.0953);
+end Onebutene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneheptanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneheptanol.mo
new file mode 100644
index 0000000..f9eb7f2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneheptanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Oneheptanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 346, name = "Oneheptanol", CAS = "111-70-6", Tc = 631.9, Pc = 3150000, Vc = 0.435, Cc = 0.261, Tb = 449.81, Tm = 239.15, TT = 239.15, TP = 0.0117728, MW = 116.203, LVB = 0.14195, AF = 0.582, SP = 21540, DM = 5.57E-30, SH = -216400000.0, IGHF = -3.32E+08, GEF = -1.253E+08, AS = 480000, HFMP = 1.322E+07, HOC = -4.2887E+09, LiqDen = {105, 0.53584, 0.24833, 632.61, 0.25556, 0}, VP = {101, 251.8216, -17683.63, -33.48375, 0.000017626, 2}, LiqCp = {16, -85727, 742.02, 4.7157, 0.026441, -0.000025674}, HOV = {106, 1.173181E+08, 1.489028, -2.632241, 3.547284, -1.892409}, VapCp = {16, 106760, -598.85, 13.165, 0.000054117, -4.1018E-08}, LiqVis = {101, -78.864, 5896.7, 9.4721, -3.3466E-07, 2}, VapVis = {102, 2.5718E-07, 0.65021, 248.54, 12.534, 0}, LiqK = {16, 0.090359, 1107.5, -13.417, 0.037115, -0.000045589}, VapK = {102, -0.060066, 0.28898, -3437.9, -1686200, 0}, Racketparam = 0.261, UniquacR = 5.2731, UniquacQ = 4.748, ChaoSeadAF = 0.582, ChaoSeadSP = 21540, ChaoSeadLV = 0.14195);
+end Oneheptanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneheptene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneheptene.mo
new file mode 100644
index 0000000..28725a9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneheptene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Oneheptene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 146, name = "Oneheptene", CAS = "592-76-7", Tc = 537.3, Pc = 2920000, Vc = 0.409, Cc = 0.267, Tb = 366.79, Tm = 154.12, TT = 154.12, TP = 0.00186, MW = 98.188, LVB = 0.14177, AF = 0.343, SP = 15310, DM = 2.1E-30, SH = -168070000.0, IGHF = -6.289E+07, GEF = 9.482E+07, AS = 425200, HFMP = 1.264E+07, HOC = -4.3499E+09, LiqDen = {105, 0.26107, 0.16952, 537.3, 0.1874, 0}, VP = {101, 109.9184, -7605.67, -13.43227, 0.0000123163, 2}, LiqCp = {16, 58419, 89.259, 10.549, 0.0039271, -8.6181E-07}, HOV = {106, 5.631368E+07, 1.145386, -1.731438, 1.615943, -0.650835}, VapCp = {16, 94067, -609.56, 13.043, 0.000046316, -2.1105E-08}, LiqVis = {101, -10.29, 827.04, -0.087144, 0.0000001052, 2}, VapVis = {102, 7.4687E-08, 0.81173, 52.725, 1460.7, 0}, LiqK = {16, -0.038053, -34.158, -1.0057, -0.0023353, -3.7702E-08}, VapK = {102, 0.000013676, 1.341, 365.19, 6251.8, 0}, Racketparam = 0.260462, UniquacR = 4.9441, UniquacQ = 4.184, ChaoSeadAF = 0.358, ChaoSeadSP = 15313.2, ChaoSeadLV = 0.141709);
+end Oneheptene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onehexanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onehexanol.mo
new file mode 100644
index 0000000..cc02ddd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onehexanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onehexanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 345, name = "Onehexanol", CAS = "111-27-3", Tc = 611.4, Pc = 3510000, Vc = 0.381, Cc = 0.263, Tb = 430.44, Tm = 228.55, TT = 228.55, TP = 0.0295499, MW = 102.177, LVB = 0.12519, AF = 0.58, SP = 21830, DM = 5.5E-30, SH = -216400000.0, IGHF = -3.18E+08, GEF = -1.344E+08, AS = 440000, HFMP = 1.54E+07, HOC = -3.67439E+09, LiqDen = {105, 0.12172, 0.11263, 611.4, 0.13194, 0}, VP = {101, 140.4065, -11996.05, -16.8497, 6.25688E-06, 2}, LiqCp = {16, -13352, 695.57, 4.4864, 0.026504, -0.000025444}, HOV = {106, 9.9912E+07, 1.0345, -0.71214, 0.038869, 0.22103}, VapCp = {16, 93733, -618.92, 13.098, -0.000028541, -8.6478E-09}, LiqVis = {101, -78.019, 5186.5, 9.8395, -0.0000094042, 2}, VapVis = {102, 2.3121E-07, 0.66402, 127.06, 17987, 0}, LiqK = {16, 0.09203, 1297.6, -15.712, 0.045447, -0.000056017}, VapK = {102, -2143900, -0.092957, 1.682E+08, -1.0339E+13, 0}, Racketparam = 0.263, UniquacR = 5.2731, UniquacQ = 4.748, ChaoSeadAF = 0.58, ChaoSeadSP = 21830, ChaoSeadLV = 0.12519);
+end Onehexanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onehexene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onehexene.mo
new file mode 100644
index 0000000..866627d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onehexene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onehexene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 130, name = "Onehexene", CAS = "592-41-6", Tc = 504, Pc = 3143000, Vc = 0.3551, Cc = 0.266, Tb = 336.63, Tm = 133.39, TT = 133.39, TP = 0.000516, MW = 84.161, LVB = 0.1259, AF = 0.281, SP = 15130, DM = 1.5E-30, SH = -168070000.0, IGHF = -4.167E+07, GEF = 8.7E+07, AS = 386300, HFMP = 9347000, HOC = -3.7397E+09, LiqDen = {105, 0.42588, 0.20073, 504, 0.21659, 0}, VP = {101, 61.18966, -5302.032, -5.914346, 4.387106E-06, 2}, LiqCp = {16, 120740, 197.35, 7.4671, 0.012038, -0.0000076352}, HOV = {106, 4.3654E+07, 0.036065, 1.7176, -2.6805, 1.3349}, VapCp = {16, 79063, -588.63, 12.822, 0.00010837, -3.9549E-08}, LiqVis = {101, -10.027, 774.41, -0.14562, -2.993E-08, 2}, VapVis = {102, 7.708E-08, 0.81478, 53.202, 774.03, 0}, LiqK = {16, 0.049094, 18.334, -2.2175, 0.0015607, -0.000010695}, VapK = {102, 0.000064257, 1.1355, 445.14, 64830, 0}, Racketparam = 0, UniquacR = 4.27, UniquacQ = 3.64, ChaoSeadAF = 0.2463, ChaoSeadSP = 15136.7, ChaoSeadLV = 0.1258);
+end Onehexene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OnemethylFournpropylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OnemethylFournpropylbenzene.mo
new file mode 100644
index 0000000..12cd40c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OnemethylFournpropylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OnemethylFournpropylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 305, name = "OnemethylFournpropylbenzene", CAS = "1074-55-1", Tc = 658, Pc = 2860000, Vc = 0.482, Cc = 0.248, Tb = 456.53, Tm = 209.455, TT = 209.55, TP = 0.0171898, MW = 134.218, LVB = 0.157097, AF = 0.413441, SP = 17460, DM = 0, SH = -1209000000.0, IGHF = -2.314E+07, GEF = 1.382E+08, AS = 430400, HFMP = 1.151E+07, HOC = -5.5528E+09, LiqDen = {105, 0.48219, 0.24259, 658, 0.32531, 0}, VP = {101, 103.2332, -9321.423, -11.85346, 6.228128E-06, 2}, LiqCp = {16, 128960, -102.23, 11.269, 0.0022913, 5.0742E-07}, HOV = {106, 5.9632E+07, -0.13089, 1.5769, -1.8325, 0.74608}, VapCp = {16, 97127, -599.11, 13.273, 0.000011665, -1.9003E-08}, LiqVis = {101, -65.00531, 3273.06, 8.413079, -0.0000101347, 2}, VapVis = {102, 7.8653E-08, 0.80621, 137.95, -9253.2, 0}, LiqK = {16, -0.081049, 3.2759, -1.4026, -0.00043634, -7.9035E-07}, VapK = {102, 0.000083347, 1.0517, 573.97, 33136, 0}, Racketparam = 0.248, UniquacR = 6.0066, UniquacQ = 4.616, ChaoSeadAF = 0.413441, ChaoSeadSP = 17460, ChaoSeadLV = 0.157097);
+end OnemethylFournpropylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OnemethylOneethylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OnemethylOneethylcyclopentane.mo
new file mode 100644
index 0000000..ea6203c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OnemethylOneethylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OnemethylOneethylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 272, name = "OnemethylOneethylcyclopentane", CAS = "16747-50-5", Tc = 582, Pc = 3020000, Vc = 0.428, Cc = 0.267, Tb = 394.672, Tm = 129.35, TT = 129.35, TP = 2.16711E-07, MW = 112.213, LVB = 0.144502, AF = 0.329811, SP = 15840, DM = 0, SH = -1209000000.0, IGHF = -1.549E+08, GEF = 5.067E+07, AS = 401000, HFMP = 0, HOC = -4.88921E+09, LiqDen = {105, 0.62398, 0.26553, 582, 0.28568, 0}, VP = {101, 70.30095, -6628.265, -7.112201, 3.497931E-06, 2}, LiqCp = {16, 96111, -59.039, 10.164, 0.0078449, -0.0000067267}, HOV = {106, 5.14848E+07, 0.288357, 0.487845, -0.669561, 0.236062}, VapCp = {16, 80936, -652.6, 13.464, -0.00013102, 2.6661E-08}, LiqVis = {101, -10.773, 1099.9, -0.048343, 1.7107E-07, 2}, VapVis = {102, 4.5602E-07, 0.57042, 274.82, -5055.3, 0}, LiqK = {16, -0.0033033, 9.4359, -1.8646, -0.00027, -0.0000024258}, VapK = {102, 0.0026462, 0.59802, 270.85, 473470, 0}, Racketparam = 0.267, UniquacR = 5.3937, UniquacQ = 4.396, ChaoSeadAF = 0.329811, ChaoSeadSP = 15840, ChaoSeadLV = 0.144502);
+end OnemethylOneethylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/OnemethylThreenpropylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OnemethylThreenpropylbenzene.mo
new file mode 100644
index 0000000..8fee3bb
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/OnemethylThreenpropylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model OnemethylThreenpropylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 304, name = "OnemethylThreenpropylbenzene", CAS = "1074-43-7", Tc = 656, Pc = 2860000, Vc = 0.482, Cc = 0.249, Tb = 455.13, Tm = 190.57, TT = 190.57, TP = 0.000721452, MW = 134.218, LVB = 0.156623, AF = 0.412785, SP = 17510, DM = 4.07E-31, SH = -1209000000.0, IGHF = -2.414E+07, GEF = 1.352E+08, AS = 436800, HFMP = 1.06E+07, HOC = -5.5516E+09, LiqDen = {105, 0.18222, 0.15152, 656, 0.20178, 0}, VP = {101, 107.4588, -9508.773, -12.48918, 6.776919E-06, 2}, LiqCp = {16, 156110, -38.093, 10.159, 0.0050313, -0.0000015247}, HOV = {106, 6.194565E+07, 0.0524158, 1.088831, -1.22236, 0.439479}, VapCp = {16, 97127, -599.11, 13.273, 0.000011665, -1.9003E-08}, LiqVis = {101, -17.301, 1601.4, 0.91018, -0.0000014707, 2}, VapVis = {102, 7.3681E-08, 0.81524, 130.94, -9552, 0}, LiqK = {16, -0.074198, 4.023, -1.4364, -0.00042252, -0.0000008562}, VapK = {102, 0.000083513, 1.0517, 570.8, 33790, 0}, Racketparam = 0.249, UniquacR = 6.0066, UniquacQ = 4.616, ChaoSeadAF = 0.412785, ChaoSeadSP = 17510, ChaoSeadLV = 0.156623);
+end OnemethylThreenpropylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onemethylindene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onemethylindene.mo
new file mode 100644
index 0000000..182dbbb
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onemethylindene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onemethylindene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 168, name = "Onemethylindene", CAS = "767-59-9", Tc = 703, Pc = 3460000, Vc = 0.436, Cc = 0.258, Tb = 471.65, Tm = 0, TT = 0, TP = 0, MW = 130.186, LVB = 0.134643, AF = 0.334861, SP = 19120, DM = 0, SH = -168070000.0, IGHF = 1.912E+08, GEF = 2.97E+08, AS = 354000, HFMP = 0, HOC = -5.28E+09, LiqDen = {105, 0.61191, 0.25938, 703, 0.29267, 0}, VP = {101, 86.18824, -8859.756, -9.212247, 3.741568E-06, 2}, LiqCp = {16, 152820, -189.88, 10.81, 0.00256, -0.0000011085}, HOV = {106, 8.0901E+07, 1.9933, -4.5733, 5.098, -2.0923}, VapCp = {16, -133130, -213.74, 13.196, 0.00017372, -4.8074E-08}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {102, 0.0000033072, 0.32792, 786.18, 680.97, 0}, LiqK = {16, -0.018671, -66.592, -0.99313, -0.0021306, 2.0941E-07}, VapK = {102, 0.000091267, 1.0385, 720.72, -19410, 0}, Racketparam = 0.261176, UniquacR = 5.105471, UniquacQ = 3.424, ChaoSeadAF = 0.33569, ChaoSeadSP = 18312.4, ChaoSeadLV = 0.134207);
+end Onemethylindene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onemethylnaphthalene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onemethylnaphthalene.mo
new file mode 100644
index 0000000..a52d2e1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onemethylnaphthalene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onemethylnaphthalene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 174, name = "Onemethylnaphthalene", CAS = "90-12-0", Tc = 772, Pc = 3600000, Vc = 0.462, Cc = 0.259, Tb = 517.84, Tm = 242.67, TT = 242.67, TP = 0.043382, MW = 142.2, LVB = 0.13937, AF = 0.348, SP = 19890, DM = 1.7E-30, SH = -168070000.0, IGHF = 1.169E+08, GEF = 2.179E+08, AS = 377400, HFMP = 6945000, HOC = -5.5958E+09, LiqDen = {105, 0.59739, 0.26468, 772, 0.2918, 0}, VP = {101, 73.89852, -9115.529, -7.252019, 2.094885E-06, 2}, LiqCp = {16, 134210, 116.27, 8.3119, 0.012175, -0.000010378}, HOV = {106, 7.0001E+07, 0.3382, 0.060354, -0.021035, -0.0086978}, VapCp = {16, 67134, -530.75, 13.222, -0.000033319, -3.2916E-09}, LiqVis = {101, 8.170859, 1169.912, -3.261889, 6.874562E-06, 2}, VapVis = {102, 2.4606E-07, 0.6456, 239.2, -8656.8, 0}, LiqK = {16, -0.049867, 2.2749, -1.45, -0.00045282, -7.0729E-07}, VapK = {102, 1.5229, -0.35024, -1389.7, 2465100, 0}, Racketparam = 0, UniquacR = 5.610415, UniquacQ = 3.936, ChaoSeadAF = 0.3337, ChaoSeadSP = 20129.2, ChaoSeadLV = 0.1398);
+end Onemethylnaphthalene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onenitrobutane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onenitrobutane.mo
new file mode 100644
index 0000000..33d160e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onenitrobutane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onenitrobutane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 383, name = "Onenitrobutane", CAS = "627-05-4", Tc = 623, Pc = 3600000, Vc = 0.338, Cc = 0.248, Tb = 425.92, Tm = 191.82, TT = 191.82, TP = 0.00329301, MW = 103.12, LVB = 0.106476, AF = 0.454584, SP = 20780, DM = 1.13E-29, SH = -22600000.0, IGHF = -1.439E+08, GEF = 1.5E+07, AS = 379100, HFMP = 1.27E+07, HOC = -2.46965E+09, LiqDen = {105, 0.709, 0.24401, 623, 0.28339, 0}, VP = {101, 275.2044, -15483.84, -38.70231, 0.0000386, 2}, LiqCp = {16, 56152, 6.6387, 10.762, 0.003942, -0.0000013791}, HOV = {106, 5.525605E+07, -1.025854, 4.47262, -4.675607, 1.466497}, VapCp = {16, 69545, -548.77, 12.729, 0.0001233, -6.7656E-08}, LiqVis = {101, -8.4776, 1274.9, -0.51437, 0.0000019485, 2}, VapVis = {102, 9.0308E-08, 0.82266, 144.36, -9193.7, 0}, LiqK = {16, -0.088752, 4.014, -1.2388, -0.00043694, -0.0000009691}, VapK = {102, 0.00013665, 0.98745, 630.3, 15608, 0}, Racketparam = 0.248, UniquacR = 4.0317, UniquacQ = 3.488, ChaoSeadAF = 0.454584, ChaoSeadSP = 20780, ChaoSeadLV = 0.106476);
+end Onenitrobutane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onenitropropane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onenitropropane.mo
new file mode 100644
index 0000000..1c2f8c9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onenitropropane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onenitropropane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 381, name = "Onenitropropane", CAS = "108-03-2", Tc = 605, Pc = 4350000, Vc = 0.288, Cc = 0.249, Tb = 404.33, Tm = 169.16, TT = 169.16, TP = 0.000688982, MW = 89.0932, LVB = 0.0894679, AF = 0.412773, SP = 21290, DM = 1.22E-29, SH = -22600000.0, IGHF = -1.24E+08, GEF = 335000, AS = 355600, HFMP = 9220000, HOC = -1.859E+09, LiqDen = {105, 0.85075, 0.24483, 605, 0.27413, 0}, VP = {101, 38.65807, -5750.644, -2.115655, -1.225423E-06, 2}, LiqCp = {16, -8835.6, 176.43, 9.53, 0.0096176, -0.0000099253}, HOV = {106, 5.6307E+07, 0.47767, -0.18338, 0.057255, -0.028311}, VapCp = {16, 57745, -538.37, 12.483, 0.00011202, -5.1502E-08}, LiqVis = {101, -19.997, 1653, 1.2605, 0.0000015194, 2}, VapVis = {102, 1.7108E-07, 0.7401, 220.03, -15.073, 0}, LiqK = {16, -0.068381, 13.221, -1.3628, -0.00024357, -0.0000012535}, VapK = {102, 0.0022117, 0.61538, 875.34, 312410, 0}, Racketparam = 0.249, UniquacR = 3.3573, UniquacQ = 2.948, ChaoSeadAF = 0.412773, ChaoSeadSP = 21290, ChaoSeadLV = 0.0894679);
+end Onenitropropane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onenonene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onenonene.mo
new file mode 100644
index 0000000..4e35cee
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onenonene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onenonene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 260, name = "Onenonene", CAS = "124-11-8", Tc = 594, Pc = 2330000, Vc = 0.526, Cc = 0.248, Tb = 420.03, Tm = 191.91, TT = 191.91, TP = 0.0204, MW = 126.242, LVB = 0.17405, AF = 0.411, SP = 15500, DM = 2.0E-30, SH = -1209000000.0, IGHF = -1.035E+08, GEF = 1.123E+08, AS = 504100, HFMP = 1.9359E+07, HOC = -5.5716E+09, LiqDen = {105, 0.18062, 0.15802, 594, 0.18969, 0}, VP = {101, 120.37, -9418.7, -14.583, 0.0000094863, 2}, LiqCp = {16, 58309, 119.15, 10.75, 0.0042025, -0.0000015805}, HOV = {106, 5.0729E+07, -0.72017, 3.2276, -3.6347, 1.4659}, VapCp = {16, 122350, -622.4, 13.352, -0.000015236, -2.3169E-10}, LiqVis = {101, -10.296, 1057.3, -0.12431, 2.0281E-07, 2}, VapVis = {102, 7.2319E-08, 0.81707, 155.31, -12572, 0}, LiqK = {16, 0.024602, -118.29, -0.40946, -0.0056136, 0.0000021909}, VapK = {102, 0.000019761, 1.2983, 563.96, 24829, 0}, Racketparam = 0.248, UniquacR = 6.2929, UniquacQ = 5.264, ChaoSeadAF = 0.411, ChaoSeadSP = 15500, ChaoSeadLV = 0.17405);
+end Onenonene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneoctene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneoctene.mo
new file mode 100644
index 0000000..50b5541
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneoctene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Oneoctene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 259, name = "Oneoctene", CAS = "111-66-0", Tc = 567, Pc = 2680000, Vc = 0.468, Cc = 0.266, Tb = 394.44, Tm = 171.45, TT = 171.45, TP = 0.00298, MW = 112.215, LVB = 0.15785, AF = 0.393, SP = 15540, DM = 1.4E-30, SH = -1209000000.0, IGHF = -8.194E+07, GEF = 1.057E+08, AS = 463700, HFMP = 1.531E+07, HOC = -4.961E+09, LiqDen = {105, 0.44684, 0.23463, 567, 0.24846, 0}, VP = {101, 177.7155, -11137.29, -23.58923, 0.000019592, 2}, LiqCp = {16, -24253, 87.834, 11.35, 0.0032002, -0.0000012467}, HOV = {106, 5.7062E+07, 0.3453, 0.41628, -0.36125, -0.059539}, VapCp = {16, 106430, -593.77, 13.154, 0.00006689, -2.6274E-08}, LiqVis = {101, -5.8042, 945.32, -0.93827, 0.0000032767, 2}, VapVis = {102, 0.000047664, 0.084052, 3514.6, 21127, 0}, LiqK = {16, 0.035226, 40.754, -2.2668, 0.00092297, -0.0000060301}, VapK = {102, 0.000014109, 1.354, 610.51, -30915, 0}, Racketparam = 0.266, UniquacR = 5.6185, UniquacQ = 4.724, ChaoSeadAF = 0.393, ChaoSeadSP = 15540, ChaoSeadLV = 0.15785);
+end Oneoctene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onepentanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onepentanol.mo
new file mode 100644
index 0000000..ddab692
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onepentanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onepentanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 341, name = "Onepentanol", CAS = "71-41-0", Tc = 588.15, Pc = 3909000, Vc = 0.326, Cc = 0.262, Tb = 411.16, Tm = 194.95, TT = 195.56, TP = 0.000345245, MW = 88.15, LVB = 0.10863, AF = 0.579, SP = 22520, DM = 5.67059E-30, SH = -216400000.0, IGHF = -3.0016E+08, GEF = -1.46022E+08, AS = 402501, HFMP = 9790560, HOC = -3.06051E+09, LiqDen = {105, 0.54137, 0.21848, 588.15, 0.20812, 0}, VP = {101, 150.9933, -11938.85, -18.59103, 8.735585E-06, 2}, LiqCp = {16, 151460, 721.52, -3.5691, 0.059604, -0.000063767}, HOV = {106, 1.1853E+08, 1.9668, -2.5741, 1.6268, -0.41037}, VapCp = {16, 78144, -573.83, 12.781, 0.00015431, -6.6745E-08}, LiqVis = {101, -29.696, 3126.2, 2.4167, -0.0000024327, 2}, VapVis = {102, 1.9935E-07, 0.70293, 200.97, -2040.7, 0}, LiqK = {16, 0.14679, 201570, -2097.5, 7.255, -0.0083973}, VapK = {102, 1221.5, 0.95117, 8.0014E+09, -2.8255E+11, 0}, Racketparam = 0.262, UniquacR = 4.5987, UniquacQ = 4.208, ChaoSeadAF = 0.579, ChaoSeadSP = 22520, ChaoSeadLV = 0.10863);
+end Onepentanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onepentene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onepentene.mo
new file mode 100644
index 0000000..08c50da
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onepentene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onepentene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 108, name = "Onepentene", CAS = "109-67-1", Tc = 464.8, Pc = 3560000, Vc = 0.2984, Cc = 0.275, Tb = 303.11, Tm = 108.016, TT = 108.016, TP = 0.000037, MW = 70.134, LVB = 0.1104, AF = 0.237, SP = 14410, DM = 1.7E-30, SH = -27600000.0, IGHF = -2.162E+07, GEF = 7.837E+07, AS = 346200, HFMP = 5937400, HOC = -3.13037E+09, LiqDen = {105, 0.44335, 0.18566, 473.43, 0.23587, 0}, VP = {101, 39.52954, -3893.399, -2.686504, 1.952359E-06, 2}, LiqCp = {16, 92753, 117.21, 8.6537, 0.007447, -0.0000026759}, HOV = {106, 3.077277E+07, -0.570706, 2.243398, -2.258065, 0.928488}, VapCp = {16, 66520, -609.44, 12.683, 0.000062395, -2.5354E-08}, LiqVis = {101, -10.79591, 682.8004, 0.00564316, -9.176806E-07, 2}, VapVis = {102, 0.0000017549, 0.42295, 561.21, -17046, 0}, LiqK = {16, -0.010825, -30.065, -1.1172, -0.0023327, -0.0000015541}, VapK = {102, 0.0000026412, 1.549, -2.5891, 24389, 0}, Racketparam = 0.2944, UniquacR = 3.5953, UniquacQ = 3.104, ChaoSeadAF = 0.2198, ChaoSeadSP = 14420.78, ChaoSeadLV = 0.1104);
+end Onepentene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onephenylnaphthalene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onephenylnaphthalene.mo
new file mode 100644
index 0000000..c8ba09f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onephenylnaphthalene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onephenylnaphthalene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 187, name = "Onephenylnaphthalene", CAS = "605-02-7", Tc = 849, Pc = 2630000, Vc = 0.656, Cc = 0.244, Tb = 607.15, Tm = 318.15, TT = 318.15, TP = 0.282425, MW = 204.266, LVB = 0.189925, AF = 0.530878, SP = 19910, DM = 0, SH = -168070000.0, IGHF = 2.47E+08, GEF = 3.71108E+08, AS = 459000, HFMP = 0, HOC = -7.92E+09, LiqDen = {105, 0.36822, 0.24155, 849, 0.29048, 0}, VP = {101, 136.2471, -14614.66, -16.02104, 5.425361E-06, 2}, LiqCp = {16, 180260, -2.5213, 10.037, 0.0072742, -0.0000049656}, HOV = {106, 1.0967E+08, 1.3201, -2.3901, 2.4598, -0.96728}, VapCp = {16, 77509, -521.03, 13.602, -0.000094316, 9.2363E-09}, LiqVis = {101, -6.144, 1205.6, -0.56682, -0.0000005706, 2}, VapVis = {102, 0.0000030793, 0.30949, 742.15, 16342, 0}, LiqK = {16, -0.052282, -21.251, -1.3126, -0.00073663, -3.6032E-07}, VapK = {102, 0.000092251, 0.99676, 619.05, 42835, 0}, Racketparam = 0, UniquacR = 7.679631, UniquacQ = 5.184, ChaoSeadAF = 0.530878, ChaoSeadSP = 19911.7, ChaoSeadLV = 0.189925);
+end Onephenylnaphthalene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onepropanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onepropanol.mo
new file mode 100644
index 0000000..9f4362f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onepropanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onepropanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 69, name = "Onepropanol", CAS = "71-23-8", Tc = 536.78, Pc = 5175000, Vc = 0.219, Cc = 0.254, Tb = 370.93, Tm = 146.95, TT = 146.95, TP = 3.69121E-07, MW = 60.096, LVB = 0.07514, AF = 0.629, SP = 24450, DM = 5.6E-30, SH = -104680000.0, IGHF = -2.552E+08, GEF = -1.599E+08, AS = 322470, HFMP = 5372000, HOC = -1.84381E+09, LiqDen = {105, 1.1537, 0.26188, 536.78, 0.23549, 0}, VP = {101, 141.3971, -10434.27, -17.45829, 0.0000113246, 2}, LiqCp = {16, 100520, 125.3, 4.7194, 0.024513, -0.000019669}, HOV = {106, 8.36461E+07, 3.338812, -9.831137, 11.8901, -4.905709}, VapCp = {16, 56681, -627.22, 12.379, 0.00012228, -5.0293E-08}, LiqVis = {101, -98.08798, 4904.749, 13.57131, -0.0000219968, 2}, VapVis = {102, 7.9322E-07, 0.54936, 416.77, -100.81, 0}, LiqK = {16, 0.076645, -189.91, -0.13475, -0.0069283, 0.0000033645}, VapK = {102, -453.4, 0.64532, -2.843E+08, -2.8865E+10, 0}, Racketparam = 0.2451, UniquacR = 2.78, UniquacQ = 2.51, ChaoSeadAF = 0.623, ChaoSeadSP = 24557.3, ChaoSeadLV = 0.0749393);
+end Onepropanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneundecene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneundecene.mo
new file mode 100644
index 0000000..a4b95fd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oneundecene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Oneundecene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 261, name = "Oneundecene", CAS = "821-95-4", Tc = 637.8, Pc = 2044000, Vc = 0.657, Cc = 0.253, Tb = 465.82, Tm = 223.99, TT = 223.99, TP = 0.0473, MW = 154.292, LVB = 0.2065, AF = 0.522466, SP = 15680, DM = 1.8E-30, SH = -1209000000.0, IGHF = -1.449E+08, GEF = 1.283E+08, AS = 582180, HFMP = 1.699E+07, HOC = -6.7878E+09, LiqDen = {105, 0.38001, 0.24991, 637.8, 0.28571, 0}, VP = {101, 93.64799, -9306.494, -10.26144, 4.149832E-06, 2}, LiqCp = {16, 99868, 144.48, 10.69, 0.0042614, -0.0000010791}, HOV = {106, 2.3696E+07, -6.3933, 18.084, -19.033, 7.4719}, VapCp = {16, 138670, -549.63, 13.4, 0.00014861, -5.2026E-08}, LiqVis = {101, -49.01257, 2643.166, 5.957949, -8.451873E-06, 2}, VapVis = {102, 5.0406E-08, 0.85093, 112.38, -8900.1, 0}, LiqK = {16, 0.067847, -250.41, 0.40201, -0.0082828, 0.0000014058}, VapK = {102, 0.000018335, 1.3031, 709.58, -2804.6, 0}, Racketparam = 0.253, UniquacR = 7.6417, UniquacQ = 6.344, ChaoSeadAF = 0.522466, ChaoSeadSP = 15680, ChaoSeadLV = 0.2065);
+end Oneundecene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onitrotoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onitrotoluene.mo
new file mode 100644
index 0000000..43bc7a7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Onitrotoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Onitrotoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 384, name = "Onitrotoluene", CAS = "88-72-2", Tc = 720, Pc = 3800000, Vc = 0.441, Cc = 0.28, Tb = 494.85, Tm = 269.65, TT = 269.98, TP = 1.72928, MW = 137.136, LVB = 0.118442, AF = 0.487824, SP = 21420, DM = 1.25E-29, SH = -22600000.0, IGHF = 4.71E+07, GEF = 1.715E+08, AS = 380800, HFMP = 1.148E+07, HOC = -3.5914E+09, LiqDen = {105, 0.49527, 0.21852, 720, 0.27202, 0}, VP = {101, 110.496, -10356.21, -12.86215, 7.080827E-06, 2}, LiqCp = {16, 167320, 675.67, 2.8482, 0.023742, -0.00001748}, HOV = {106, 7.853006E+07, 0.959622, -1.263212, 1.073123, -0.436452}, VapCp = {16, 126830, -1053.5, 13.982, -0.0011308, 3.2272E-07}, LiqVis = {101, -227.78, 9560.6, 33.954, -0.00004379, 2}, VapVis = {102, 3.9111E-08, 0.92063, 61.279, -2619.3, 0}, LiqK = {16, -0.28005, 20.455, -0.90478, 0.000049377, -4.8022E-07}, VapK = {102, 0.00013501, 0.95252, 632.43, 27080, 0}, Racketparam = 0.28, UniquacR = 4.2801, UniquacQ = 3.272, ChaoSeadAF = 0.487824, ChaoSeadSP = 21420, ChaoSeadLV = 0.118442);
+end Onitrotoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Otoluicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Otoluicacid.mo
new file mode 100644
index 0000000..11415df
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Otoluicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Otoluicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 397, name = "Otoluicacid", CAS = "118-90-1", Tc = 751, Pc = 3860000, Vc = 0.397, Cc = 0.245, Tb = 532, Tm = 376.85, TT = 376.85, TP = 237.832, MW = 136.148, LVB = 0.126888, AF = 0.657237, SP = 22920, DM = 5.67059E-30, SH = -22600000.0, IGHF = -3.22796E+08, GEF = -2.13346E+08, AS = 406141, HFMP = 2.01774E+07, HOC = -3.69902E+09, LiqDen = {105, 0.61816, 0.24687, 751, 0.2856, 0}, VP = {101, 133.1988, -13740.37, -15.5105, 5.245068E-06, 2}, LiqCp = {16, 129490, 18.011, 10.105, 0.0057419, -0.000003975}, HOV = {106, 9.9956E+07, 0.80217, -0.93427, 0.8805, -0.3406}, VapCp = {16, 85949, -929.05, 14.065, -0.0013145, 5.0858E-07}, LiqVis = {101, -8.7015, 1473.1, -0.25079, 0.0000003109, 2}, VapVis = {102, 1.2379E-07, 0.7551, 177.89, -5611.1, 0}, LiqK = {16, -0.13162, 29.195, -1.2663, 0.000070644, -8.4448E-07}, VapK = {102, 0.000027427, 1.1315, 204.73, 55122, 0}, Racketparam = 0.245, UniquacR = 5.058, UniquacQ = 3.912, ChaoSeadAF = 0.657237, ChaoSeadSP = 22920, ChaoSeadLV = 0.126888);
+end Otoluicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oxalicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oxalicacid.mo
new file mode 100644
index 0000000..480d8c3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oxalicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Oxalicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 393, name = "Oxalicacid", CAS = "144-62-7", Tc = 804, Pc = 7020000, Vc = 0.205, Cc = 0.215, Tb = 569, Tm = 462.65, TT = 462.65, TP = 2152.34, MW = 90.0349, LVB = 0.0614585, AF = 0.917597, SP = 35980, DM = 8.77E-30, SH = -22600000.0, IGHF = -7.338E+08, GEF = -6.614E+08, AS = 343300, HFMP = 0, HOC = -2.01E+08, LiqDen = {105, 1.0501, 0.215, 804, 0.28571, 0}, VP = {101, 216.92, -20979, -27.004, 0.0000086326, 2}, LiqCp = {16, 81965, -1.9623, 9.0826, 0.0038828, 2.1663E-07}, HOV = {106, 1.2079E+08, 0.30321, 0.62049, -0.9257, 0.38682}, VapCp = {16, 25231, -1473.6, 15.259, -0.0058042, 0.0000026122}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {102, 1.3016E-07, 0.7814, 154.56, -3949.8, 0}, LiqK = {16, -0.088775, -213.56, 0.1118, -0.0022725, 3.5301E-07}, VapK = {102, 0.084868, 0.23486, 15441, 507600, 0}, Racketparam = 0.215, UniquacR = 2.6026, UniquacQ = 2.448, ChaoSeadAF = 0.917597, ChaoSeadSP = 35980, ChaoSeadLV = 0.0614585);
+end Oxalicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oxygen.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oxygen.mo
new file mode 100644
index 0000000..6b7214b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oxygen.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Oxygen
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 23, 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, SH = 0.0, 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;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oxylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oxylene.mo
new file mode 100644
index 0000000..b8c30e1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Oxylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Oxylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 151, name = "Oxylene", CAS = "95-47-6", Tc = 630.3, Pc = 3732000, Vc = 0.37, Cc = 0.263, Tb = 417.59, Tm = 247.98, TT = 247.98, TP = 21.842, MW = 106.167, LVB = 0.12125, AF = 0.312, SP = 18390, DM = 2.1E-30, SH = -168070000.0, IGHF = 1.908E+07, GEF = 1.22E+08, AS = 353830, HFMP = 1.36E+07, HOC = -4.333E+09, LiqDen = {105, 0.69962, 0.26143, 630.3, 0.27365, 0}, VP = {101, 88.08217, -7844.793, -9.738423, 5.713756E-06, 2}, LiqCp = {16, 134490, -170.61, 10.247, 0.0049096, -0.0000031727}, HOV = {106, 6.6979E+07, 1.259, -1.849, 1.5198, -0.50455}, VapCp = {16, 73986, -589.13, 12.936, 0.000080122, -4.5074E-08}, LiqVis = {101, -11.059, 1251.7, -0.076438, 0.000001254, 2}, VapVis = {102, 6.783E-08, 0.82039, -1.2715, 13072, 0}, LiqK = {16, -0.018751, -22.77, -1.3391, -0.0014281, -6.1692E-07}, VapK = {102, 0.0000059387, 1.356, -206, 65058, 0}, Racketparam = 0.2633, UniquacR = 4.66, UniquacQ = 3.54, ChaoSeadAF = 0.2904, ChaoSeadSP = 18389.04, ChaoSeadLV = 0.1212);
+end Oxylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ozone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ozone.mo
new file mode 100644
index 0000000..c3cecfc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ozone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ozone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 201, name = "Ozone", CAS = "10028-15-6", Tc = 261.05, Pc = 5570000, Vc = 0.0894, Cc = 0.229, Tb = 161.8, Tm = 22.1499, TT = 80.15, TP = 0.734621, MW = 47.998, LVB = 0.0354, AF = 0.224, SP = 18740, DM = 1.8E-30, SH = 143100000.0, IGHF = 1.431E+08, GEF = 1.63164E+08, AS = 238823, HFMP = 2000000, HOC = -1.42671E+08, LiqDen = {105, 2.6432, 0.26544, 261.05, 0.25239, 0}, VP = {101, 33.80011, -2066.264, -1.865143, 3.696996E-08, 2}, LiqCp = {16, 64500, -60.205, 9.9787, 0.0080434, -0.000010929}, HOV = {106, 1.6254E+07, -0.073447, 0.14823, 0.62225, -0.43277}, VapCp = {16, 32859.57, -604.7407, 10.91207, -0.000287995, 2.632407E-08}, LiqVis = {101, -37.036, 815.78, 4.8971, -0.000047646, 2}, VapVis = {102, 0.0000001896, 0.78539, 36.908, -2041.9, 0}, LiqK = {16, 0.23255, -678.09, -6.5705, -0.074977, 0.00025391}, VapK = {102, 0.0043907, 0.47832, 709.48, 233.72, 0}, Racketparam = 0.229, UniquacR = 1.1, UniquacQ = 1.27, ChaoSeadAF = 0.224, ChaoSeadSP = 18740, ChaoSeadLV = 0.0354);
+end Ozone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pcresol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pcresol.mo
new file mode 100644
index 0000000..0ca548c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pcresol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pcresol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 143, name = "Pcresol", CAS = "106-44-5", Tc = 704.5, Pc = 5150000, Vc = 0.277, Cc = 0.244, Tb = 475.12, Tm = 307.93, TT = 307.93, TP = 34.4658, MW = 108.14, LVB = 0.105, AF = 0.51, SP = 24030, DM = 5.2E-30, SH = -168070000.0, IGHF = -1.2535E+08, GEF = -3.166E+07, AS = 350750, HFMP = 1.2707E+07, HOC = -3.52256E+09, LiqDen = {105, 0.94818, 0.2877, 704.66, 0.2873, 0}, VP = {101, 236.9207, -17215.31, -31.28645, 0.0000163766, 2}, LiqCp = {16, 142400, 625.27, 3.2944, 0.02818, -0.000027958}, HOV = {106, 1.3617E+08, 1.404, 0.8091, -3.6055, 2.0268}, VapCp = {16, 58748, -529.02, 12.887, -0.0000351, -1.6131E-09}, LiqVis = {101, -820.7853, 35522.87, 124.3969, -0.000127538, 2}, VapVis = {102, 1.4308E-07, 0.74508, 159.9, -24.834, 0}, LiqK = {16, 0.061771, -123.88, -1.1823, -0.0033339, 0.0000010151}, VapK = {102, 0.00016735, 0.93839, 592.49, 25704, 0}, Racketparam = 0, UniquacR = 4.7567, UniquacQ = 3.888, ChaoSeadAF = 0.508, ChaoSeadSP = 23827.4, ChaoSeadLV = 0.104957);
+end Pcresol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pcymene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pcymene.mo
new file mode 100644
index 0000000..fbf9a9d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pcymene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pcymene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 293, name = "Pcymene", CAS = "99-87-6", Tc = 652, Pc = 2800000, Vc = 0.497, Cc = 0.248, Tb = 450.26, Tm = 205.25, TT = 205.25, TP = 0.010391, MW = 134.221, LVB = 0.15749, AF = 0.376, SP = 17290, DM = 0, SH = -1209000000.0, IGHF = -2.799E+07, GEF = 1.3352E+08, AS = 426400, HFMP = 9661000, HOC = -5.558E+09, LiqDen = {105, 0.44838, 0.23842, 653.16, 0.26866, 0}, VP = {101, 130.8986, -10357.88, -16.09943, 9.850105E-06, 2}, LiqCp = {16, 99148, 48.442, 10.281, 0.006034, -0.0000045515}, HOV = {106, 8.966039E+07, 1.950064, -3.032433, 2.16162, -0.588861}, VapCp = {16, 119360, -822.32, 13.841, -0.00060036, 1.8085E-07}, LiqVis = {101, -29.824, 1974.9, 2.8359, -0.0000010565, 2}, VapVis = {102, 0.0000032148, 0.32014, 730.34, 10237, 0}, LiqK = {16, 0.018679, -10.656, -1.722, -0.0015047, -7.6885E-07}, VapK = {102, 0.00010761, 1.0275, 670.75, 67288, 0}, Racketparam = 0.248, UniquacR = 6.0058, UniquacQ = 4.612, ChaoSeadAF = 0.376, ChaoSeadSP = 17290, ChaoSeadLV = 0.15749);
+end Pcymene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pdichlorobenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pdichlorobenzene.mo
new file mode 100644
index 0000000..f2b6c3c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pdichlorobenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pdichlorobenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 120, name = "Pdichlorobenzene", CAS = "106-46-7", Tc = 684.75, Pc = 4070000, Vc = 0.351, Cc = 0.251, Tb = 447.21, Tm = 326.14, TT = 326.14, TP = 1225.03, MW = 147.002, LVB = 0.117406, AF = 0.284638, SP = 19330, DM = 0, SH = -168070000.0, IGHF = 2.25E+07, GEF = 7.67E+07, AS = 336740, HFMP = 1.82E+07, HOC = -2.802E+09, LiqDen = {105, 0.74861, 0.26271, 684.75, 0.30815, 0}, VP = {101, 40.63688, -6607.72, -2.221184, -3.90747E-06, 2}, LiqCp = {16, 155200, 855.07, 0.88585, 0.024843, -0.000014582}, HOV = {106, 6.112633E+07, 0.426201, -0.0366365, 0.00811781, -0.00754654}, VapCp = {16, 55695, -489.46, 12.649, -0.00012524, 2.3115E-08}, LiqVis = {101, -131.86, 5312.8, 19.284, -0.000029085, 2}, VapVis = {102, 1.5946E-07, 0.76369, 193.94, -148.97, 0}, LiqK = {16, 0.02927, -28.287, -2.0319, 0.000077764, -0.0000037797}, VapK = {102, -2269.7, 0.68598, -3.774E+09, -2.6655E+11, 0}, Racketparam = 0.265583, UniquacR = 4.4376, UniquacQ = 3.288, ChaoSeadAF = 0.234279, ChaoSeadSP = 19187.2, ChaoSeadLV = 0.117341);
+end Pdichlorobenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pdiethylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pdiethylbenzene.mo
new file mode 100644
index 0000000..1901268
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pdiethylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pdiethylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 296, name = "Pdiethylbenzene", CAS = "105-05-5", Tc = 657.9, Pc = 2803000, Vc = 0.4805, Cc = 0.247, Tb = 456.9, Tm = 230.3, TT = 230.325, TP = 0.21291, MW = 134.2182, LVB = 0.15645, AF = 0.403, SP = 17660, DM = 0, SH = -1209000000.0, IGHF = -2.23E+07, GEF = 1.385E+08, AS = 433100, HFMP = 1.06E+07, HOC = -5.5553E+09, LiqDen = {105, 0.50239, 0.25108, 657.9, 0.28806, 0}, VP = {101, 108.74, -9636.7, -12.656, 0.000006664, 2}, LiqCp = {16, 42717, -14.138, 11.106, 0.0050234, -0.0000039715}, HOV = {106, 5.468714E+07, -1.551219, 6.621841, -8.199596, 3.486311}, VapCp = {16, 117030, -755.24, 13.637, -0.00037709, 9.9721E-08}, LiqVis = {101, -11.766, 1322.3, 0.075076, -1.4518E-07, 2}, VapVis = {102, 7.2136E-07, 0.49617, 343.97, -290.07, 0}, LiqK = {16, -0.054323, -5.9143, -1.4413, -0.00065059, -8.3255E-07}, VapK = {102, 0.000023956, 1.1969, 213.51, 48127, 0}, Racketparam = 0.247, UniquacR = 6.0066, UniquacQ = 4.616, ChaoSeadAF = 0.403, ChaoSeadSP = 17660, ChaoSeadLV = 0.15645);
+end Pdiethylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pdiisopropylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pdiisopropylbenzene.mo
new file mode 100644
index 0000000..f65d202
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pdiisopropylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pdiisopropylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 306, name = "Pdiisopropylbenzene", CAS = "100-18-5", Tc = 675, Pc = 2360000, Vc = 0.584, Cc = 0.256, Tb = 483.52, Tm = 256.08, TT = 256.08, TP = 0.697953, MW = 162.271, LVB = 0.190236, AF = 0.476415, SP = 16930, DM = 0, SH = -1209000000.0, IGHF = -7.76E+07, GEF = 1.47804E+08, AS = 488000, HFMP = 0, HOC = -6.77E+09, LiqDen = {105, 0.77801, 0.34547, 675, 0.38736, 0}, VP = {101, 121.6259, -10711.76, -14.56272, 8.944308E-06, 2}, LiqCp = {16, -70570, 94.476, 11.349, 0.0048258, -0.0000034771}, HOV = {106, 9.572101E+07, 2.166143, -4.616074, 4.777254, -1.852374}, VapCp = {16, 100830, -531.56, 13.456, 0.000043333, -2.4118E-08}, LiqVis = {101, -8.9912, 1148.7, -0.35833, 4.6037E-07, 2}, VapVis = {102, 8.0354E-07, 0.48062, 391.1, 176.97, 0}, LiqK = {16, -0.043466, -14.777, -1.4776, -0.00080068, -0.0000006904}, VapK = {102, 0.31596, -0.074042, -318.59, 1928600, 0}, Racketparam = 0.256, UniquacR = 7.3538, UniquacQ = 5.688, ChaoSeadAF = 0.390023, ChaoSeadSP = 16930, ChaoSeadLV = 0.190236);
+end Pdiisopropylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pentanal.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pentanal.mo
new file mode 100644
index 0000000..9efbbc4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pentanal.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pentanal
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 320, name = "Pentanal", CAS = "110-62-3", Tc = 554, Pc = 3500000, Vc = 0.316, Cc = 0.264, Tb = 376.15, Tm = 190.15, TT = 182, TP = 0.0522823, MW = 86.1323, LVB = 0.107035, AF = 0.390803, SP = 18440, DM = 8.57E-30, SH = -1209000000.0, IGHF = -2.2669E+08, GEF = -1.0711E+08, AS = 382890, HFMP = 1.5E+07, HOC = -2.91E+09, LiqDen = {105, 0.76227, 0.25072, 566.11, 0.27912, 0}, VP = {101, 92.63614, -7428.499, -10.51804, 7.160109E-06, 2}, LiqCp = {16, 156770, 199.89, 4.2571, 0.024547, -0.000022679}, HOV = {106, 6.99504E+07, 0.991037, 0.252443, -1.761713, 0.936026}, VapCp = {16, 101560, -929.74, 13.391, -0.0005525, 1.6606E-07}, LiqVis = {101, -10.884, 982.07, -0.00046989, 2.2767E-08, 2}, VapVis = {102, 2.2718E-07, 0.67661, 192.16, -86.47, 0}, LiqK = {16, 0.010965, -0.28239, -1.5585, -0.0012856, -0.0000013221}, VapK = {102, -3901000, -0.05461, 1.6551E+09, -2.4357E+13, 0}, Racketparam = 0.264, UniquacR = 3.9223, UniquacQ = 3.416, ChaoSeadAF = 0.347159, ChaoSeadSP = 18440, ChaoSeadLV = 0.107035);
+end Pentanal;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pethyltoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pethyltoluene.mo
new file mode 100644
index 0000000..4dd8eb2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pethyltoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pethyltoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 284, name = "Pethyltoluene", CAS = "622-96-8", Tc = 640.2, Pc = 3230000, Vc = 0.44, Cc = 0.259, Tb = 435.13, Tm = 210.83, TT = 210.83, TP = 0.0782406, MW = 120.194, LVB = 0.1396, AF = 0.364, SP = 17710, DM = 0, SH = -1209000000.0, IGHF = -3260000, GEF = 1.268E+08, AS = 398900, HFMP = 1.336E+07, HOC = -4.94268E+09, LiqDen = {105, 0.60155, 0.25704, 640.2, 0.31664, 0}, VP = {101, 21.19382, -5103.792, 0.409026, -2.319216E-06, 2}, LiqCp = {16, 30748, -85.511, 11.539, 0.0037389, -0.0000030029}, HOV = {106, 7.1677E+07, 1.0708, -1.1055, 0.62044, -0.16372}, VapCp = {16, 75636, -568.13, 13.103, 0.000082441, -4.4902E-08}, LiqVis = {101, -23.973, 1681.2, 1.9315, 6.328E-08, 2}, VapVis = {102, 5.7075E-07, 0.5347, 318.96, -7211.9, 0}, LiqK = {16, -0.065655, 1.2156, -1.4285, -0.00047761, -9.6417E-07}, VapK = {102, 0.000095782, 1.0471, 660.61, 40132, 0}, Racketparam = 0.259, UniquacR = 5.3322, UniquacQ = 4.076, ChaoSeadAF = 0.364, ChaoSeadSP = 17710, ChaoSeadLV = 0.1396);
+end Pethyltoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phenanthrene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phenanthrene.mo
new file mode 100644
index 0000000..d8ece64
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phenanthrene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Phenanthrene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 182, name = "Phenanthrene", CAS = "85-01-8", Tc = 869, Pc = 2900000, Vc = 0.554, Cc = 0.222, Tb = 610.03, Tm = 372.38, TT = 372.38, TP = 29.2781, MW = 178.229, LVB = 0.167077, AF = 0.470716, SP = 19910, DM = 0, SH = -168070000.0, IGHF = 2.012E+08, GEF = 3.0219E+08, AS = 394500, HFMP = 1.6463E+07, HOC = -6.8282E+09, LiqDen = {105, 0.4558, 0.25237, 869, 0.24848, 0}, VP = {101, 275.0593, -20918.1, -36.87097, 0.0000193212, 2}, LiqCp = {16, 115950, -43.82, 10.979, 0.0042773, -0.0000023928}, HOV = {106, 9.2455E+07, 0.28979, 1.1393, -1.9946, 0.92537}, VapCp = {16, 66200, -509.49, 13.435, -0.000075274, 6.0366E-09}, LiqVis = {101, -22.439, 2565.4, 1.5699, 3.8655E-09, 2}, VapVis = {102, 0.0000004717, 0.52643, 268.46, 10947, 0}, LiqK = {16, 0.11683, -580.68, -0.62222, -0.006256, 4.1638E-07}, VapK = {102, 0.000092871, 0.99317, 671.87, 29972, 0}, Racketparam = 0.249255, UniquacR = 6.562953, UniquacQ = 4.336, ChaoSeadAF = 0.54, ChaoSeadSP = 20142.5, ChaoSeadLV = 0.167078);
+end Phenanthrene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phenol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phenol.mo
new file mode 100644
index 0000000..02830f2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phenol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Phenol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 126, name = "Phenol", CAS = "108-95-2", Tc = 694.25, Pc = 6130000, Vc = 0.229, Cc = 0.243, Tb = 455.04, Tm = 314.06, TT = 314.06, TP = 187.979, MW = 94.113, LVB = 0.08787, AF = 0.442, SP = 24630, DM = 4.84E-30, SH = -168070000.0, IGHF = -9.6399E+07, GEF = -3.2637E+07, AS = 314810, HFMP = 1.151E+07, HOC = -2.921E+09, LiqDen = {105, 1.4937, 0.32883, 694.25, 0.34018, 0}, VP = {101, 300.97, -20269, -40.743, 0.000021631, 2}, LiqCp = {16, 86710, -628.11, 15.735, -0.0091743, 0.0000081827}, HOV = {106, 7.270282E+07, -0.265673, 2.248545, -2.018709, 0.353169}, VapCp = {16, 39758, -470.56, 12.627, 0.000068347, -4.9708E-08}, LiqVis = {101, -203.001, 10884.21, 28.73615, -0.0000224564, 2}, VapVis = {102, 1.0771E-07, 0.79384, 145.89, -11364, 0}, LiqK = {16, 0.14109, -966.5, 10.659, -0.049095, 0.000038703}, VapK = {102, 0.03495, 0.27845, 1585.2, 862070, 0}, Racketparam = 0, UniquacR = 3.5517, UniquacQ = 2.68, ChaoSeadAF = 0.442, ChaoSeadSP = 24632.6, ChaoSeadLV = 0.0889403);
+end Phenol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phosgene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phosgene.mo
new file mode 100644
index 0000000..57e5b1e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phosgene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Phosgene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 8, name = "Phosgene", CAS = "75-44-5", Tc = 455, Pc = 5674200, Vc = 0.19, Cc = 0.285, Tb = 280.71, Tm = 145.37, TT = 145.37, TP = 0.920651, MW = 98.9161, LVB = 0.0597955, AF = 0.201309, SP = 17140, DM = 3.9E-30, SH = -218900000.0, IGHF = -2.189E+08, GEF = -2.0479E+08, AS = 283740, HFMP = 5738400, HOC = -1.746E+08, LiqDen = {105, 1.4691, 0.2768, 455, 0.27965, 0}, VP = {101, 81.03568, -5112.106, -9.267047, 0.0000119936, 2}, LiqCp = {16, 101240, -202030, 196.31, 2.1704, -0.0015512}, HOV = {106, 4.367252E+07, 1.081822, -0.773774, -0.1937, 0.317951}, VapCp = {16, 32506, -282.16, 11.124, -0.00017636, 4.5651E-08}, LiqVis = {101, -789.51, 22474, 129.1, -0.00032789, 2}, VapVis = {102, 6.2229E-07, 0.58405, 277.35, -6111.6, 0}, LiqK = {16, 0.0025061, 3.5674, -1.6592, -0.0007952, -0.0000018088}, VapK = {102, 0.000024368, 1.1423, 246.56, 4296.5, 0}, Racketparam = 0, UniquacR = 2.300593, UniquacQ = 2.08, ChaoSeadAF = 0.1918, ChaoSeadSP = 17837.2, ChaoSeadLV = 0.0705389);
+end Phosgene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phthalicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phthalicacid.mo
new file mode 100644
index 0000000..09872f2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Phthalicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Phthalicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 401, name = "Phthalicacid", CAS = "88-99-3", Tc = 943.0648, Pc = 4492234, Vc = 0.4235, Cc = 0.242627, Tb = 651.424, Tm = 483.15, TT = 0, TP = 0, MW = 166.131, LVB = 0.115821, AF = 1.16031, SP = 29038.44, DM = 8.67E-30, SH = -22600000.0, IGHF = -6.63E+08, GEF = -5.42E+08, AS = 442000, HFMP = 0, HOC = -3.0915E+09, LiqDen = {105, 0.59385, 0.252, 800, 0.28571, 0}, VP = {101, 214.6186, -21678.73, -26.54136, 7.94063E-06, 2}, LiqCp = {16, 126080, 73.955, 9.4222, 0.0070682, -0.0000039598}, HOV = {106, 1.16446E+08, 0.325842, -0.000233021, 0.00216992, 0.484323}, VapCp = {16, 78972, -814.12, 13.621, -0.00057909, 1.2469E-07}, LiqVis = {101, -20.315, 4089.4, 0.87699, -5.3713E-07, 2}, VapVis = {102, 5.1978E-08, 0.86126, 68.544, -136.86, 0}, LiqK = {16, -0.13007, 40.261, -1.3314, 0.00027982, -9.4309E-07}, VapK = {102, 0.00011576, 0.91053, 351.24, 130660, 0}, Racketparam = 0.242627, UniquacR = 5.456, UniquacQ = 4.288, ChaoSeadAF = 0, ChaoSeadSP = 0, ChaoSeadLV = 0);
+end Phthalicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Piperazine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Piperazine.mo
new file mode 100644
index 0000000..d9c6ab7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Piperazine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Piperazine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 376, name = "Piperazine", CAS = "110-85-0", Tc = 656.3, Pc = 5420000, Vc = 0.267, Cc = 0.2652, Tb = 419.15, Tm = 379.15, TT = 379.15, TP = 26372.2, MW = 86.1356, LVB = 0.129371, AF = 0.269668, SP = 17960, DM = 4.90339E-30, SH = -22600000.0, IGHF = 2.26E+07, GEF = 1.7E+08, AS = 321000, HFMP = 1.17E+07, HOC = -2.76E+09, LiqDen = {105, 1.4074, 0.323, 638, 0.28571, 0}, VP = {101, 143.27, -11245, -17.657, 0.0000096236, 2}, LiqCp = {4, 32886.27, 346.6189, 0.473406, -0.000434168, 0}, HOV = {106, 6.6945E+07, 0.99602, -2.0069, 2.4018, -0.97129}, VapCp = {16, 68463, -744.16, 13.556, -0.00073698, 1.7652E-07}, LiqVis = {101, 24.341, 105.42, -5.6537, 0.0000060109, 2}, VapVis = {102, 0.0000022951, 0.42453, 937.27, -18307, 0}, LiqK = {16, 0.029211, -334.85, 0.86034, -0.0073343, 0.0000029317}, VapK = {102, 0.0014866, 0.6319, -11.551, 345800, 0}, Racketparam = 0.323, UniquacR = 3.7628, UniquacQ = 2.952, ChaoSeadAF = 0.41376, ChaoSeadSP = 17960, ChaoSeadLV = 0.129371);
+end Piperazine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pnitrotoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pnitrotoluene.mo
new file mode 100644
index 0000000..0b0d219
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pnitrotoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pnitrotoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 385, name = "Pnitrotoluene", CAS = "99-99-0", Tc = 736, Pc = 3800000, Vc = 0.441, Cc = 0.229, Tb = 511.15, Tm = 325.05, TT = 324.75, TP = 40.4829, MW = 137.136, LVB = 0.121894, AF = 0.542405, SP = 21110, DM = 1.48E-29, SH = -22600000.0, IGHF = 3.1E+07, GEF = 1.554E+08, AS = 380800, HFMP = 1.6676E+07, HOC = -3.553E+09, LiqDen = {105, 0.76802, 0.27463, 736, 0.3126, 0}, VP = {101, 115.4618, -11239.6, -13.3636, 5.387653E-06, 2}, LiqCp = {16, 90280, 945.96, 3.9359, 0.019415, -0.000013352}, HOV = {106, 1.550237E+08, 1.89329, -1.014085, -0.0168324, -0.442436}, VapCp = {16, 126830, -1053.5, 13.982, -0.0011308, 3.2272E-07}, LiqVis = {101, -164.01, 7455.2, 23.73, -0.000026464, 2}, VapVis = {102, 4.1207E-08, 0.91154, 64.997, -92.66, 0}, LiqK = {16, -0.1404, 23.385, -1.2743, -0.000067534, -5.8708E-07}, VapK = {102, 0.000064675, 1.0353, 391.41, 37904, 0}, Racketparam = 0.229, UniquacR = 4.2801, UniquacQ = 3.272, ChaoSeadAF = 0.425222, ChaoSeadSP = 21110, ChaoSeadLV = 0.121894);
+end Pnitrotoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pphenylenediamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pphenylenediamine.mo
new file mode 100644
index 0000000..4ae8d9d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pphenylenediamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pphenylenediamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 375, name = "Pphenylenediamine", CAS = "106-50-3", Tc = 796, Pc = 5180000, Vc = 0.377, Cc = 0.248, Tb = 540, Tm = 419, TT = 413, TP = 1388.21, MW = 108.141, LVB = 0.102198, AF = 0.53864, SP = 24810, DM = 5.1E-30, SH = -22600000.0, IGHF = 9.12E+07, GEF = 2.1E+08, AS = 349000, HFMP = 2.68E+07, HOC = -3.33E+09, LiqDen = {105, 0.78274, 0.24798, 796, 0.28573, 0}, VP = {101, 120.7365, -13060.28, -13.71648, 4.333592E-06, 2}, LiqCp = {16, 199750, 494.23, 5.1045, 0.015817, -0.000010858}, HOV = {106, 1.0783E+08, 1.6408, -3.3392, 3.5461, -1.4179}, VapCp = {16, 58132, -482.33, 12.882, -0.000085339, 9.0492E-09}, LiqVis = {101, -8.9816, 2291, -0.53494, 2.8717E-07, 2}, VapVis = {102, 1.4679E-07, 0.74191, 224.79, -11478, 0}, LiqK = {16, 0.0030572, -268.6, 0.38244, -0.0036549, 8.2114E-07}, VapK = {102, 0.000070276, 1.0203, 189.91, 62690, 0}, Racketparam = 0.248, UniquacR = 4.2452, UniquacQ = 3.232, ChaoSeadAF = 0.53864, ChaoSeadSP = 24810, ChaoSeadLV = 0);
+end Pphenylenediamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propadiene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propadiene.mo
new file mode 100644
index 0000000..37723c3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propadiene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Propadiene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 60, name = "Propadiene", CAS = "463-49-0", Tc = 394, Pc = 5250000, Vc = 0.1739, Cc = 0.279, Tb = 238.77, Tm = 136.87, TT = 136.87, TP = 18.2497, MW = 40.065, LVB = 0.06095, AF = 0.122, SP = 14010, DM = 0, SH = 190500000.0, IGHF = 1.905E+08, GEF = 2.008E+08, AS = 243900, HFMP = 4400000, HOC = -1.8563E+09, LiqDen = {105, 0.86549, 0.19732, 394, 0.21029, 0}, VP = {101, 59.80183, -3745.303, -6.036523, 8.205156E-06, 2}, LiqCp = {16, 78665, -12422, 151.08, -0.53356, 0.00065986}, HOV = {106, 1.54657E+07, -3.722436, 11.45729, -12.9266, 5.522823}, VapCp = {16, 34671.52, -447.4983, 11.46556, 0.000444481, -1.470826E-07}, LiqVis = {101, -9.5153, 310.76, -0.034725, -0.0000021543, 2}, VapVis = {102, 6.3119E-07, 0.52792, 129.92, 8459.5, 0}, LiqK = {16, 0.06063, 169.42, -4.6941, 0.014436, -0.000036249}, VapK = {102, 0.000059663, 1.0782, 9.0271, 65666, 0}, Racketparam = 0, UniquacR = 1.7917, UniquacQ = 1.528, ChaoSeadAF = 0.3125, ChaoSeadSP = 17551, ChaoSeadLV = 0.0604292);
+end Propadiene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propanal.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propanal.mo
new file mode 100644
index 0000000..9c32f53
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propanal.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Propanal
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 318, name = "Propanal", CAS = "123-38-6", Tc = 493.15, Pc = 4650000, Vc = 0.223, Cc = 0.239, Tb = 321.15, Tm = 193.15, TT = 170, TP = 1.31328, MW = 58.0791, LVB = 0.0734076, AF = 0.330077, SP = 19320, DM = 8.41E-30, SH = -1209000000.0, IGHF = -1.874E+08, GEF = -1.244E+08, AS = 304700, HFMP = 8580000, HOC = -1.6857E+09, LiqDen = {105, 0.81482, 0.2126, 493.15, 0.21277, 0}, VP = {101, 110.8631, -6856.828, -13.8218, 0.0000173391, 2}, LiqCp = {16, 116710, 75.622, 5.752, 0.010877, 0.0000042986}, HOV = {106, 6.196909E+07, 1.837694, -1.953499, -0.000443949, 0.620394}, VapCp = {16, -181030, 9.3832, 12.233, 0.00079415, -2.4738E-07}, LiqVis = {101, -10.033, 843.41, -0.14954, 3.8846E-08, 2}, VapVis = {102, 1.9173E-07, 0.71905, 111.91, 4618.1, 0}, LiqK = {16, 0.020248, -83.587, -0.55331, -0.0042681, 0.0000015626}, VapK = {102, 776.87, 0.94095, 4.8356E+09, -1.3358E+11, 0}, Racketparam = 0.239, UniquacR = 2.5735, UniquacQ = 2.336, ChaoSeadAF = 0.255909, ChaoSeadSP = 19320, ChaoSeadLV = 0.0734076);
+end Propanal;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propane.mo
new file mode 100644
index 0000000..b7853f5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Propane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 67, name = "Propane", CAS = "74-98-6", Tc = 369.83, Pc = 4248000, Vc = 0.2, Cc = 0.276, Tb = 231.02, Tm = 85.47, TT = 85.47, TP = 0.0001685, MW = 44.097, LVB = 0.07487, AF = 0.152, SP = 13100, DM = 0, SH = -104680000.0, IGHF = -1.0468E+08, GEF = -2.439E+07, AS = 270200, HFMP = 3524000, HOC = -2.04311E+09, LiqDen = {105, 1.3186, 0.27005, 369.86, 0.27852, 0}, VP = {101, 55.2725, -3396.946, -5.423393, 8.953731E-06, 2}, LiqCp = {16, 87486, -13371, 156.92, -0.5459, 0.00068504}, HOV = {106, 3.0459E+07, 1.2001, -2.1107, 1.9732, -0.65316}, VapCp = {16, 37840.4, -445.5789, 11.83871, 0.000653764, -2.200137E-07}, LiqVis = {101, -35.23159, 966.1472, 4.395026, -0.0000255079, 2}, VapVis = {102, 4.7422E-08, 0.90416, -4.7484, 478.57, 0}, LiqK = {16, 0.02937, -16.323, -1.3313, -0.0012596, -0.000011206}, VapK = {102, -1.139, 0.10904, -9898.6, -7669600, 0}, Racketparam = 0.2763, UniquacR = 2.4766, UniquacQ = 2.236, ChaoSeadAF = 0.1538, ChaoSeadSP = 13091.2, ChaoSeadLV = 0.084);
+end Propane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propionicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propionicacid.mo
new file mode 100644
index 0000000..5b5ef8c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propionicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Propionicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 65, name = "Propionicacid", CAS = "79-09-4", Tc = 604, Pc = 4530000, Vc = 0.233, Cc = 0.207, Tb = 414.31, Tm = 252.45, TT = 252.45, TP = 13.1, MW = 74.079, LVB = 0.07497, AF = 0.544, SP = 19490, DM = 5.84E-30, SH = 20230000.0, IGHF = -4.535E+08, GEF = -3.568E+08, AS = 294900, HFMP = 1.066E+07, HOC = -1.395E+09, LiqDen = {105, 0.88103, 0.22848, 612.66, 0.25898, 0}, VP = {101, 58.42, -7261.2, -4.9024, 0.0000010406, 2}, LiqCp = {16, 120710, 704.7, 1.1886, 0.028883, -0.000020278}, HOV = {106, 4.8878E+07, 3.7167, -10.822, 11.498, -4.1176}, VapCp = {16, 47961, -474.81, 12.167, 0.00020648, -6.6213E-08}, LiqVis = {101, -53.41646, 2724.985, 6.7143, -9.670276E-06, 2}, VapVis = {102, 1.6155E-08, 1.0459, -115.32, 27680, 0}, LiqK = {16, 0.067757, -235.87, -0.022659, -0.0065033, 0.0000026666}, VapK = {102, 0.004145, 0.70902, 13255, -4962900, 0}, Racketparam = 0, UniquacR = 2.9, UniquacQ = 2.58, ChaoSeadAF = 0.52, ChaoSeadSP = 19130.1, ChaoSeadLV = 0.0749523);
+end Propionicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propionitrile.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propionitrile.mo
new file mode 100644
index 0000000..65f59f3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propionitrile.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Propionitrile
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 411, name = "Propionitrile", CAS = "107-12-0", Tc = 564.4, Pc = 4180000, Vc = 0.229, Cc = 0.204, Tb = 370.5, Tm = 180.26, TT = 180.26, TP = 0.169356, MW = 55.0785, LVB = 0.0708565, AF = 0.324267, SP = 21760, DM = 1.34E-29, SH = -61100000.0, IGHF = 5.15E+07, GEF = 9.74949E+07, AS = 286600, HFMP = 5029170, HOC = -1.8007E+09, LiqDen = {105, 0.90359, 0.2211, 564.4, 0.26246, 0}, VP = {101, 81.601, -6646.8, -8.9882, 0.0000074443, 2}, LiqCp = {16, 105770, 154.89, 4.5843, 0.018329, -0.000011984}, HOV = {106, 3.633259E+07, -2.107222, 8.013128, -9.747514, 4.114254}, VapCp = {16, 47947, -544.83, 11.91, 0.00026005, -9.1233E-08}, LiqVis = {101, -8.0958, 775.57, -0.393, -7.9624E-07, 2}, VapVis = {102, 9.8851E-08, 0.79377, 155.28, -11568, 0}, LiqK = {16, 0.13846, 2645.2, -37.177, 0.15078, -0.00022598}, VapK = {102, 0.00048871, 1.327, 43042, -3226700, 0}, Racketparam = 0.204, UniquacR = 2.5445, UniquacQ = 2.264, ChaoSeadAF = 0.324267, ChaoSeadSP = 21760, ChaoSeadLV = 0.0708565);
+end Propionitrile;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propylene.mo
new file mode 100644
index 0000000..eb70cfe
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Propylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 61, name = "Propylene", CAS = "115-07-1", Tc = 364.85, Pc = 4600000, Vc = 0.185, Cc = 0.281, Tb = 225.45, Tm = 87.9, TT = 87.89, TP = 0.00117, MW = 42.0797, LVB = 0.0832412, AF = 0.137588, SP = 11890, DM = 1.22E-30, SH = 20230000.0, IGHF = 2.023E+07, GEF = 6.264E+07, AS = 267000, HFMP = 2936000, HOC = -1.9262E+09, LiqDen = {105, 0.98129, 0.22226, 365.58, 0.24039, 0}, VP = {101, 55.10362, -3330.452, -5.40588, 0.0000093641, 2}, LiqCp = {16, 79790, 300.8, 5.1342, 0.0095615, 0.000012777}, HOV = {106, 2.7525E+07, 0.61217, -0.41646, 0.083772, 0.12092}, VapCp = {16, 38965.36, -516.3838, 11.75322, 0.000509119, -1.771348E-07}, LiqVis = {101, -54.05485, 1437.773, 7.536247, -0.0000342733, 2}, VapVis = {102, 7.3873E-07, 0.54213, 262.33, -108.51, 0}, LiqK = {16, -0.044587, 22.061, -1.744, 0.0015214, -0.0000078162}, VapK = {102, 0.000045373, 1.2, 415.83, 2757.2, 0}, Racketparam = 0.2785, UniquacR = 2.25, UniquacQ = 2.02, ChaoSeadAF = 0.1477, ChaoSeadSP = 13152.4, ChaoSeadLV = 0.068956);
+end Propylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propylenecarbonate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propylenecarbonate.mo
new file mode 100644
index 0000000..5a8fc57
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Propylenecarbonate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Propylenecarbonate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 419, name = "Propylenecarbonate", CAS = "108-32-7", Tc = 778, Pc = 5410000, Vc = 0.246, Cc = 0.206, Tb = 514.9, Tm = 218.62, TT = 224.85, TP = 0.00116652, MW = 102.089, LVB = 0.0852768, AF = 0.449764, SP = 27300, DM = 1.65E-29, SH = -61100000.0, IGHF = -6.0116E+08, GEF = -4.555E+08, AS = 296300, HFMP = 9617000, HOC = -1.6678E+09, LiqDen = {105, 1.122, 0.27599, 778, 0.40344, 0}, VP = {101, 102.32, -10530, -11.489, 0.0000052921, 2}, LiqCp = {16, 121750, 105.89, 6.5083, 0.016964, -0.000014577}, HOV = {106, 3.145898E+08, 9.998207, -26.2884, 28.38292, -11.49051}, VapCp = {16, 51696, -502.59, 12.655, -0.000076494, 1.3781E-08}, LiqVis = {101, -818.33, 28057, 129.62, -0.00022812, 2}, VapVis = {102, 4.7119E-08, 0.92676, 86.628, -9783.8, 0}, LiqK = {16, -0.096241, 6.7832, -1.0385, -0.00032841, -6.9782E-07}, VapK = {102, 0.00017416, 0.94857, 659.28, 16364, 0}, Racketparam = 0.206, UniquacR = 3.6024, UniquacQ = 3.006, ChaoSeadAF = 0.449764, ChaoSeadSP = 27300, ChaoSeadLV = 0.0852768);
+end Propylenecarbonate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ptoluicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ptoluicacid.mo
new file mode 100644
index 0000000..aa17309
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Ptoluicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Ptoluicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 398, name = "Ptoluicacid", CAS = "99-94-5", Tc = 773, Pc = 3860000, Vc = 0.397, Cc = 0.238, Tb = 548.15, Tm = 452.75, TT = 452.75, TP = 5208.62, MW = 136.148, LVB = 0.129817, AF = 0.661017, SP = 22040, DM = 0, SH = -22600000.0, IGHF = -3.22796E+08, GEF = -2.13346E+08, AS = 406141, HFMP = 2.2737E+07, HOC = -3.69222E+09, LiqDen = {105, 0.60059, 0.238, 773, 0.28571, 0}, VP = {101, 180.79, -16901, -22.327, 0.0000079041, 2}, LiqCp = {16, 204240, 558.58, 5.081, 0.015699, -0.000010465}, HOV = {106, 1.0299E+08, 0.94653, -1.474, 1.5504, -0.62044}, VapCp = {16, 85949, -929.05, 14.065, -0.0013145, 5.0858E-07}, LiqVis = {101, -16.393, 2717.5, 0.51437, -3.3608E-07, 2}, VapVis = {102, 8.0828E-08, 0.81038, 114.97, -489.3, 0}, LiqK = {16, -0.14095, 29.118, -1.2124, 0.000049104, -7.6374E-07}, VapK = {102, 0.00002977, 1.1214, 206.56, 62002, 0}, Racketparam = 0.238, UniquacR = 5.058, UniquacQ = 3.912, ChaoSeadAF = 0.661017, ChaoSeadSP = 22040, ChaoSeadLV = 0.129817);
+end Ptoluicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pxylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pxylene.mo
new file mode 100644
index 0000000..cdca150
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pxylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pxylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 152, name = "Pxylene", CAS = "106-42-3", Tc = 616.2, Pc = 3511000, Vc = 0.378, Cc = 0.259, Tb = 411.53, Tm = 286.41, TT = 286.41, TP = 575.533, MW = 106.167, LVB = 0.12393, AF = 0.322, SP = 17910, DM = 0, SH = -168070000.0, IGHF = 1.803E+07, GEF = 1.214E+08, AS = 352165, HFMP = 1.711E+07, HOC = -4.333E+09, LiqDen = {105, 0.67752, 0.25887, 616.2, 0.27596, 0}, VP = {101, 97.352, -8082.1, -11.197, 0.0000072605, 2}, LiqCp = {16, 63084, -343.38, 13.438, -0.0033851, 0.0000045592}, HOV = {106, 5.6332E+07, 0.37965, 0.42395, -0.85683, 0.43704}, VapCp = {16, 62397, -585.6, 13.025, 0.0000037921, -1.7044E-08}, LiqVis = {101, -23.916, 1499.8, 2.0719, -0.0000037065, 2}, VapVis = {102, 2.4281E-08, 0.95421, -91.329, 17547, 0}, LiqK = {16, 0.00066881, -122.94, -0.60875, -0.0037322, 9.7446E-07}, VapK = {102, 0.0000001261, 1.8916, -453.43, 111720, 0}, Racketparam = 0.2589, UniquacR = 4.66, UniquacQ = 3.54, ChaoSeadAF = 0.2969, ChaoSeadSP = 17939.04, ChaoSeadLV = 0.124);
+end Pxylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pyrene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pyrene.mo
new file mode 100644
index 0000000..17a8a18
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pyrene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pyrene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 186, name = "Pyrene", CAS = "129-00-0", Tc = 936, Pc = 2610000, Vc = 0.66, Cc = 0.221, Tb = 667.95, Tm = 423.81, TT = 423.81, TP = 70.0313, MW = 202.251, LVB = 0.184923, AF = 0.507416, SP = 19670, DM = 0, SH = -168070000.0, IGHF = 2.25E+08, GEF = 3.272E+08, AS = 402000, HFMP = 1.736E+07, HOC = -7.63094E+09, LiqDen = {105, 0.54272, 0.27165, 936, 0.41522, 0}, VP = {101, 68.91405, -11628.85, -6.184331, 6.420723E-07, 2}, LiqCp = {16, 149400, -94.468, 11.128, 0.0038746, -0.0000019128}, HOV = {106, 9.198843E+07, -0.224752, 1.989996, -2.139885, 0.666532}, VapCp = {16, 117680, -754.3, 14.068, -0.00069165, 2.0484E-07}, LiqVis = {101, -131.9, 8597.1, 17.746, -0.000010523, 2}, VapVis = {102, 4.4284E-07, 0.52754, 289.9, 15025, 0}, LiqK = {16, 0.10165, -731.42, 0.75712, -0.0079846, 0.0000028317}, VapK = {102, 0.000092503, 0.97453, 647.35, 45503, 0}, Racketparam = 0.246034, UniquacR = 7.187871, UniquacQ = 4.504, ChaoSeadAF = 0.344, ChaoSeadSP = 20762.5, ChaoSeadLV = 0.17368);
+end Pyrene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pyridine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pyridine.mo
new file mode 100644
index 0000000..ee8911c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Pyridine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Pyridine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 102, name = "Pyridine", CAS = "110-86-1", Tc = 620, Pc = 5670000, Vc = 0.254, Cc = 0.267, Tb = 388.37, Tm = 231.53, TT = 231.51, TP = 20.5354, MW = 79.101, LVB = 0.08088, AF = 0.242, SP = 21570, DM = 7.31E-30, SH = -134990000.0, IGHF = 1.4037E+08, GEF = 1.9049E+08, AS = 282780, HFMP = 8280000, HOC = -2.6721E+09, LiqDen = {105, 0.67102, 0.2057, 620, 0.26001, 0}, VP = {101, 82.05373, -7269.578, -8.810082, 4.816564E-06, 2}, LiqCp = {16, 101830, 209.77, 5.3544, 0.019802, -0.000018129}, HOV = {106, 8.4421E+07, 2.7457, -5.3078, 4.8654, -1.7952}, VapCp = {16, 36223, -620.9, 12.812, -0.00029215, 7.7524E-08}, LiqVis = {101, -82.798, 4102.8, 11.028, -0.0000093419, 2}, VapVis = {102, 5.339E-08, 0.90066, 85.55, -5060.2, 0}, LiqK = {16, 0.018788, -54.761, -1.2916, -0.00062226, -0.0000029942}, VapK = {102, -7052.4, 0.17223, -5.768E+07, -1.624E+11, 0}, Racketparam = 0.269325, UniquacR = 3, UniquacQ = 2.16, ChaoSeadAF = 0.238898, ChaoSeadSP = 21804.1, ChaoSeadLV = 0.0808341);
+end Pyridine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Salicylicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Salicylicacid.mo
new file mode 100644
index 0000000..8f98ddc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Salicylicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Salicylicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 399, name = "Salicylicacid", CAS = "69-72-7", Tc = 739, Pc = 5180000, Vc = 0.364, Cc = 0.275, Tb = 529, Tm = 431.75, TT = 431.75, TP = 2802.65, MW = 138.121, LVB = 0.119591, AF = 0.851182, SP = 24210, DM = 8.84E-30, SH = -22600000.0, IGHF = -4.948E+08, GEF = -3.954E+08, AS = 399800, HFMP = 1.959E+07, HOC = -2.8901E+09, LiqDen = {105, 0.8432, 0.27522, 739, 0.28574, 0}, VP = {101, 252.5417, -21148.9, -32.63925, 0.0000130693, 2}, LiqCp = {16, 129500, 160.82, 8.5105, 0.0092921, -0.0000057493}, HOV = {106, 1.3325E+08, -0.11849, 3.6062, -5.1635, 2.13}, VapCp = {16, 83388, -879.57, 13.917, -0.0013499, 0.0000005122}, LiqVis = {101, -50.743, 5203.6, 5.2837, 2.047E-08, 2}, VapVis = {102, 1.0029E-07, 0.78423, 131.87, -154.53, 0}, LiqK = {16, 0.0043799, -391.31, 0.63544, -0.0048323, 0.0000010995}, VapK = {102, 0.000028337, 1.1043, 106.43, 67783, 0}, Racketparam = 0.275, UniquacR = 4.6869, UniquacQ = 3.624, ChaoSeadAF = 0.851182, ChaoSeadSP = 24210, ChaoSeadLV = 0.119591);
+end Salicylicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Secbutylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Secbutylbenzene.mo
new file mode 100644
index 0000000..1c57c49
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Secbutylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Secbutylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 289, name = "Secbutylbenzene", CAS = "135-98-8", Tc = 664.54, Pc = 2930000, Vc = 0.478, Cc = 0.265, Tb = 446.48, Tm = 197.717, TT = 197.717, TP = 0.00180534, MW = 134.218, LVB = 0.156497, AF = 0.279149, SP = 17050, DM = 1.3E-30, SH = -1209000000.0, IGHF = -1.73E+07, GEF = 1.4523E+08, AS = 439600, HFMP = 9830000, HOC = -5.563E+09, LiqDen = {105, 0.51273, 0.25494, 664.54, 0.28096, 0}, VP = {101, 222.2329, -13854.88, -30.30702, 0.0000262583, 2}, LiqCp = {16, 163140, -1794.7, 23.385, -0.029199, 0.000028}, HOV = {106, 3.1793E+07, -4.1563, 12.591, -13.449, 5.2588}, VapCp = {16, 118430, -784.79, 13.745, -0.00050199, 1.4393E-07}, LiqVis = {10, -9.695648, -444.5934, -129.1082, 0, 0}, VapVis = {102, 0.000001223, 0.44278, 495.81, 151.45, 0}, LiqK = {16, -0.042864, 5.3464, -1.6033, -0.00035754, -0.0000011781}, VapK = {102, 0.000022, 1.2101, 186.5, 49434, 0}, Racketparam = 0.265, UniquacR = 5.9452, UniquacQ = 4.584, ChaoSeadAF = 0.279149, ChaoSeadSP = 17050, ChaoSeadLV = 0.156497);
+end Secbutylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Secbutylmercaptan.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Secbutylmercaptan.mo
new file mode 100644
index 0000000..003d873
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Secbutylmercaptan.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Secbutylmercaptan
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 352, name = "Secbutylmercaptan", CAS = "513-53-1", Tc = 551, Pc = 3970000, Vc = 0.307, Cc = 0.271, Tb = 358.13, Tm = 133.01, TT = 133.01, TP = 0.0000339902, MW = 90.1872, LVB = 0.10943, AF = 0.25, SP = 17000, DM = 5.17E-30, SH = -22600000.0, IGHF = -9.66E+07, GEF = 5200000, AS = 366730, HFMP = 6477000, HOC = -2.95E+09, LiqDen = {105, 0.81743, 0.26237, 554.01, 0.28149, 0}, VP = {101, 85.20348, -6580.804, -9.568603, 0.0000075683, 2}, LiqCp = {16, 132220, 286.96, 6.629, 0.011753, -0.0000059086}, HOV = {106, 4.567571E+07, 0.16352, 0.885588, -1.131485, 0.438377}, VapCp = {16, 85634, -697.09, 12.792, -0.00003836, -5.0229E-09}, LiqVis = {101, -11.718, 953.76, 0.15985, -4.5581E-07, 2}, VapVis = {102, 8.4539E-08, 0.83594, 117.21, -7872.1, 0}, LiqK = {16, -0.032852, 4.221, -1.5207, -0.0004702, -0.0000018598}, VapK = {102, 0.97519, -0.11286, 1130.7, 3149700, 0}, Racketparam = 0.271, UniquacR = 4.1276, UniquacQ = 3.604, ChaoSeadAF = 0.25, ChaoSeadSP = 17000, ChaoSeadLV = 0.10943);
+end Secbutylmercaptan;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Squalane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Squalane.mo
new file mode 100644
index 0000000..d9c7436
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Squalane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Squalane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 217, name = "Squalane", CAS = "111-01-3", Tc = 863, Pc = 868000, Vc = 1.64, Cc = 0.198, Tb = 623.15, Tm = 235.15, TT = 235.15, TP = 1.70072E-12, MW = 422.813, LVB = 0.526135, AF = 0.915303, SP = 14490, DM = 0, SH = -1209000000.0, IGHF = -6.896E+08, GEF = 1.868E+08, AS = 1272000, HFMP = 4.7E+07, HOC = -1.85E+10, LiqDen = {105, 0.15996, 0.26223, 863, 0.38604, 0}, VP = {101, 518.45, -40342, -70.491, 0.00002486, 2}, LiqCp = {16, -38276, -113.46, 13.728, 0.001186, -3.7363E-07}, HOV = {106, 1.3274E+08, 0.38, 0, 0, 0}, VapCp = {16, 369830, -553.39, 14.489, 0.00010319, -3.8186E-08}, LiqVis = {118, -347.8968, 71874.9, 53.72611, -0.0000616157, 1.3}, VapVis = {102, 2.2128E-07, 0.5436, 144.2, 25.787, 0}, LiqK = {16, -0.045427, 7.6198, -1.8982, -0.00026051, -5.9557E-07}, VapK = {102, 0.000056714, 1.0625, 551.79, 75579, 0}, Racketparam = 0.198, UniquacR = 20.6854, UniquacQ = 16.816, ChaoSeadAF = 0.915303, ChaoSeadSP = 14490, ChaoSeadLV = 0.526135);
+end Squalane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Styrene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Styrene.mo
new file mode 100644
index 0000000..0ede9ff
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Styrene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Styrene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 148, name = "Styrene", CAS = "100-42-5", Tc = 636, Pc = 3840000, Vc = 0.352, Cc = 0.256, Tb = 418.31, Tm = 242.54, TT = 242.54, TP = 10.6132, MW = 104.149, LVB = 0.115667, AF = 0.297097, SP = 19020, DM = 4.33E-31, SH = -168070000.0, IGHF = 1.474E+08, GEF = 2.139E+08, AS = 345100, HFMP = 1.095E+07, HOC = -4.219E+09, LiqDen = {105, 0.57789, 0.23139, 640.77, 0.26351, 0}, VP = {101, 399.8489, -19017.34, -58.96286, 0.0000747957, 2}, LiqCp = {16, 134310, -99.916, 9.4935, 0.0058294, -0.0000013972}, HOV = {106, 1.110621E+08, 3.429275, -6.061051, 4.605581, -1.408226}, VapCp = {16, 57806.72, -550.4249, 12.95376, -0.0000950882, 2.294759E-08}, LiqVis = {101, -24.717, 1824, 1.9977, -4.7933E-07, 2}, VapVis = {102, 3.6968E-08, 0.90482, -32.023, 10027, 0}, LiqK = {16, -0.071817, -30.013, -1.0262, -0.0015623, 2.7674E-07}, VapK = {102, 0.010229, 0.40085, 535.56, 704200, 0}, Racketparam = 0, UniquacR = 4.37, UniquacQ = 3.3, ChaoSeadAF = 0.2302, ChaoSeadSP = 19015.9, ChaoSeadLV = 0.115667);
+end Styrene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfolane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfolane.mo
new file mode 100644
index 0000000..536aa84
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfolane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Sulfolane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 90, name = "Sulfolane", CAS = "126-33-0", Tc = 855, Pc = 7290000, Vc = 0.3365, Cc = 0.345074, Tb = 560.45, Tm = 300.55, TT = 300.55, TP = 0.704459, MW = 120.17, LVB = 0.0952677, AF = 0.5234, SP = 26110, DM = 1.56E-29, SH = -17100000.0, IGHF = -3.727E+08, GEF = -2.431E+08, AS = 347500, HFMP = 1373000, HOC = -2.397E+09, LiqDen = {105, 0.89997, 0.26972, 853, 0.30746, 0}, VP = {101, 112.0995, -12237.47, -12.64533, 4.157394E-06, 2}, LiqCp = {16, 122690, -336.31, 11.614, 0.0017011, -5.0866E-07}, HOV = {106, 1.605659E+08, 3.828131, -7.67047, 6.739132, -2.353929}, VapCp = {16, 92921, -999.97, 13.757, -0.00093192, 0.0000002258}, LiqVis = {101, -56.251, 4046.1, 6.7894, -0.0000052803, 2}, VapVis = {102, 2.9074E-08, 0.97453, 81.209, -9361.1, 0}, LiqK = {16, 0.079581, -84.501, -1.1134, -0.0025206, 2.9748E-07}, VapK = {102, 0.000077821, 1.0313, 528.38, 54551, 0}, Racketparam = 0.257009, UniquacR = 4.0357, UniquacQ = 3.2, ChaoSeadAF = 0.377998, ChaoSeadSP = 26335.8, ChaoSeadLV = 0.0952677);
+end Sulfolane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfurdioxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfurdioxide.mo
new file mode 100644
index 0000000..4415dda
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfurdioxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Sulfurdioxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 24, name = "Sulfurdioxide", CAS = "7446-09-5", Tc = 430.75, Pc = 7884100, Vc = 0.122, Cc = 0.269, Tb = 263.13, Tm = 200, TT = 197.67, TP = 1674.39, MW = 64.0638, LVB = 0.04688, AF = 0.245381, SP = 12270, DM = 5.44E-30, SH = -296840000.0, IGHF = -2.9684E+08, GEF = -3.0012E+08, AS = 248100, HFMP = 7401000, HOC = 0, LiqDen = {105, 1.8477, 0.24254, 430.75, 0.27051, 0}, VP = {101, 53.52766, -4260.124, -4.670429, 0.0000030272, 2}, LiqCp = {16, 86911, 53691, -599.94, 2.2025, -0.0025885}, HOV = {106, 4.8914E+07, 1.8091, -2.9053, 2.2271, -0.64793}, VapCp = {16, 33406, -516.38, 10.524, 0.000013143, -6.1535E-08}, LiqVis = {101, 50.887, -1574, -9.4517, 1.5898E-07, 2}, VapVis = {102, 0.0000012144, 0.53923, 315.41, -2659.7, 0}, LiqK = {16, -0.21664, -2.2484, -0.50659, -0.0009424, -0.0000010218}, VapK = {102, 23.316, -0.95324, -1567.4, 1330100, 0}, Racketparam = 0, UniquacR = 1.6961, UniquacQ = 1.612, ChaoSeadAF = 0.2462, ChaoSeadSP = 12272.9, ChaoSeadLV = 0.0438228);
+end Sulfurdioxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfurhexafluoride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfurhexafluoride.mo
new file mode 100644
index 0000000..31d178d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfurhexafluoride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Sulfurhexafluoride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 203, name = "Sulfurhexafluoride", CAS = "2551-62-4", Tc = 318.72, Pc = 3760000, Vc = 0.1984, Cc = 0.282, Tb = 209.25, Tm = 222.65, TT = 223.15, TP = 232670, MW = 146.056, LVB = 0.07981, AF = 0.208, SP = 7681, DM = 0, SH = -1209000000.0, IGHF = -1.209E+09, GEF = -1.1053E+09, AS = 291710, HFMP = 5024200, HOC = 9.24E+08, LiqDen = {105, 1.0016, 0.23435, 318.74, 0.24027, 0}, VP = {101, -17.60907, -1028.369, 6.556299, -0.0000178874, 2}, LiqCp = {16, 119500, -2040, -9.5251, 0.005216, -0.000044691}, HOV = {106, 5.0769E+07, 8.5605, -25.709, 29.437, -11.774}, VapCp = {16, 32322, -368.1, 12.478, -0.00063326, 1.9169E-07}, LiqVis = {101, 20.959, -457.46, -4.9486, 0.0000065105, 2}, VapVis = {102, 5.9343E-07, 0.62415, 62.573, 13289, 0}, LiqK = {16, -0.064331, -179.32, 0.36969, -0.0050683, -0.0000040693}, VapK = {102, 0.0013269, 0.52727, 30.264, 73930, 0}, Racketparam = 0.282, UniquacR = 3.085036, UniquacQ = 3.28, ChaoSeadAF = 0.208, ChaoSeadSP = 7681, ChaoSeadLV = 0.07981);
+end Sulfurhexafluoride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfurtrioxide.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfurtrioxide.mo
new file mode 100644
index 0000000..67b2a75
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Sulfurtrioxide.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Sulfurtrioxide
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 25, name = "Sulfurtrioxide", CAS = "7446-11-9", Tc = 490.85, Pc = 8210000, Vc = 0.127, Cc = 0.255, Tb = 317.9, Tm = 289.95, TT = 289.95, TP = 21130, MW = 80.0632, LVB = 0.0420954, AF = 0.42396, SP = 31130, DM = 0, SH = -296840000.0, IGHF = -3.9572E+08, GEF = -3.7095E+08, AS = 256510, HFMP = 7532000, HOC = 1.422E+08, LiqDen = {105, 1.6186, 0.20129, 490.85, 0.42123, 0}, VP = {101, 351.6001, -18247.39, -49.77065, 0.0000409297, 2}, LiqCp = {16, 258090, -3271.8, -8.4929, 0.0035868, -0.000028801}, HOV = {106, 8.1339E+07, 0.77728, -0.42427, 0.68287, -0.4608}, VapCp = {16, 32986, -404.97, 11.171, -0.000087925, -8.9809E-09}, LiqVis = {101, -260.71, 11505, 38.839, -0.000061621, 2}, VapVis = {102, 0.0000010033, 0.54515, 135.63, 19402, 0}, LiqK = {16, 0.021077, 585.52, -5.8227, 0.016099, -0.000027318}, VapK = {102, 1.1717, -0.2465, 2002.7, 1327100, 0}, Racketparam = 0, UniquacR = 2.145023, UniquacQ = 1.972376, ChaoSeadAF = 0.42396, ChaoSeadSP = 31130, ChaoSeadLV = 0.0420954);
+end Sulfurtrioxide;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Terephthalicacid.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Terephthalicacid.mo
new file mode 100644
index 0000000..104abc7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Terephthalicacid.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Terephthalicacid
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 403, name = "Terephthalicacid", CAS = "100-21-0", Tc = 943.0648, Pc = 4492234, Vc = 0.4235, Cc = 0.242627, Tb = 665.55, Tm = 573.15, TT = 0, TP = 0, MW = 166.131, LVB = 0.115821, AF = 1.16031, SP = 29038.44, DM = 0, SH = -22600000.0, IGHF = -7.179E+08, GEF = -5.99E+08, AS = 448000, HFMP = 0, HOC = -3.0576E+09, LiqDen = {105, 0.42685, 0.181, 1113, 0.28571, 0}, VP = {101, 215.8574, -29586.64, -25.50026, 3.863371E-06, 2}, LiqCp = {0, 0, 0, 0, 0, 0}, HOV = {106, 8.9802E+07, 0.189, -0.50305, -1.1074, 4.311}, VapCp = {16, 83070, -852.74, 13.689, -0.000643, 1.4167E-07}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {102, 2.4248E-08, 0.96894, 40.456, -14256, 0}, LiqK = {16, 0, 0, 0, 0, 0}, VapK = {102, 0.00016184, 0.88608, 624.29, 90960, 0}, Racketparam = 0.242627, UniquacR = 5.456, UniquacQ = 4.288, ChaoSeadAF = 0, ChaoSeadSP = 0, ChaoSeadLV = 0);
+end Terephthalicacid;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylbenzene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylbenzene.mo
new file mode 100644
index 0000000..bc6cdd2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylbenzene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Tertbutylbenzene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 290, name = "Tertbutylbenzene", CAS = "98-06-6", Tc = 660, Pc = 2970000, Vc = 0.46, Cc = 0.266, Tb = 442.3, Tm = 215.27, TT = 215.27, TP = 0.0910321, MW = 134.218, LVB = 0.155605, AF = 0.267406, SP = 17130, DM = 2.33E-30, SH = -1209000000.0, IGHF = -2.26E+07, GEF = 1.4995E+08, AS = 401400, HFMP = 8393000, HOC = -5.5547E+09, LiqDen = {105, 0.50957, 0.25071, 660, 0.30584, 0}, VP = {101, 87.574, -8352.2, -9.5118, 0.0000039953, 2}, LiqCp = {16, 164930, 701.24, 1.184, 0.037122, -0.000038006}, HOV = {106, 6.3167E+07, 0.45262, 0, 0, 0}, VapCp = {16, 113750, -776.86, 13.825, -0.0005797, 1.6467E-07}, LiqVis = {101, -11.7, 1364.1, 0.038741, -3.8013E-08, 2}, VapVis = {102, 7.2957E-07, 0.50871, 384.51, -23.513, 0}, LiqK = {16, 0.052023, -143.3, -0.69673, -0.0057333, 0.0000022627}, VapK = {102, 0.000018955, 1.2291, 130.74, 53349, 0}, Racketparam = 0.266, UniquacR = 5.9452, UniquacQ = 4.584, ChaoSeadAF = 0.267406, ChaoSeadSP = 17130, ChaoSeadLV = 0.155605);
+end Tertbutylbenzene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylcyclohexane.mo
new file mode 100644
index 0000000..01204d8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Tertbutylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 281, name = "Tertbutylcyclohexane", CAS = "3178-22-1", Tc = 652, Pc = 2660000, Vc = 0.51, Cc = 0.25, Tb = 444.65, Tm = 231.98, TT = 231.98, TP = 1.2, MW = 140.266, LVB = 0.1734, AF = 0.299134, SP = 16040, DM = 0, SH = -1209000000.0, IGHF = -2.169E+08, GEF = 5.695E+07, AS = 445700, HFMP = 1.12E+07, HOC = -6.091E+09, LiqDen = {105, 0.52388, 0.26705, 652, 0.32913, 0}, VP = {101, 123.1664, -9675.557, -15.08186, 0.0000105041, 2}, LiqCp = {16, 40996, -122.74, 11.846, 0.0032488, -0.0000015611}, HOV = {106, 6.9454E+07, 0.40915, 1.6494, -3.4494, 1.9573}, VapCp = {16, 95339, -601.24, 13.623, -0.000018521, -1.574E-08}, LiqVis = {101, -11.549, 1445.9, 0, 0, 0}, VapVis = {102, 4.6046E-08, 0.87493, 72.873, -5600.2, 0}, LiqK = {16, 0.054405, -203.55, -0.50495, -0.0065818, 0.0000029095}, VapK = {102, 0.077607, 0.14004, -91.94, 1372500, 0}, Racketparam = 0.25, UniquacR = 6.7417, UniquacQ = 5.472, ChaoSeadAF = 0.299134, ChaoSeadSP = 16040, ChaoSeadLV = 0.1734);
+end Tertbutylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylethylether.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylethylether.mo
new file mode 100644
index 0000000..63cf565
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylethylether.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Tertbutylethylether
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 331, name = "Tertbutylethylether", CAS = "637-92-3", Tc = 512, Pc = 3149000, Vc = 0.382, Cc = 0.272, Tb = 345.65, Tm = 176.15, TT = 179.15, TP = 0.880264, MW = 102.175, LVB = 0.138991, AF = 0.295672, SP = 14800, DM = 4.07E-30, SH = -216400000.0, IGHF = -3.165E+08, GEF = -1.217E+08, AS = 397500, HFMP = 9530000, HOC = -3.684E+09, LiqDen = {105, 0.74373, 0.27619, 512, 0.30602, 0}, VP = {101, 59.92213, -5564.171, -5.601322, 3.389291E-06, 2}, LiqCp = {16, 135520, 9.8807, 8.6914, 0.01077, -0.0000076034}, HOV = {106, 4.5825E+07, 0.349787, 0.137025, -0.301886, 0.219717}, VapCp = {16, 78915, -487.03, 12.843, 0.00025385, -8.879E-08}, LiqVis = {101, -12.011, 1089.8, 0.081011, -2.1688E-07, 2}, VapVis = {102, 1.9715E-07, 0.697, 171.3, -4885.5, 0}, LiqK = {16, -0.1316, 11.716, -1.2478, -0.00024672, -0.0000012519}, VapK = {102, 0.000058788, 1.0907, 235.7, 33150, 0}, Racketparam = 0.272, UniquacR = 4.7422, UniquacQ = 4.172, ChaoSeadAF = 0.295672, ChaoSeadSP = 14800, ChaoSeadLV = 0.138991);
+end Tertbutylethylether;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylmercaptan.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylmercaptan.mo
new file mode 100644
index 0000000..2c8394b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tertbutylmercaptan.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Tertbutylmercaptan
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 350, name = "Tertbutylmercaptan", CAS = "75-66-1", Tc = 530, Pc = 4060000, Vc = 0.307, Cc = 0.283, Tb = 337.37, Tm = 274.26, TT = 274.42, TP = 7907.71, MW = 90.1872, LVB = 0.113524, AF = 0.191395, SP = 15790, DM = 5.3E-30, SH = -22600000.0, IGHF = -1.096E+08, GEF = 1006000, AS = 338000, HFMP = 2482000, HOC = -2.9396E+09, LiqDen = {105, 0.89711, 0.27544, 530, 0.31359, 0}, VP = {101, 107.5154, -7030.549, -13.1586, 0.0000127338, 2}, LiqCp = {16, 154160, 506.03, 1.848, 0.027991, -0.000021961}, HOV = {106, 5.3137E+07, 1.4502, -2.4713, 2.4297, -0.95458}, VapCp = {16, 81989, -677.66, 12.907, -0.00021031, 4.8543E-08}, LiqVis = {101, -8.3337, 1214.8, -0.59208, 0.0000022318, 2}, VapVis = {102, 3.9123E-07, 0.6395, 316.74, -8533.3, 0}, LiqK = {16, 0.031454, -260.91, 0.599, -0.0079027, 0.0000031638}, VapK = {102, 0.032499, 0.31482, 1562.3, 775320, 0}, Racketparam = 0.283, UniquacR = 4.3543, UniquacQ = 3.912, ChaoSeadAF = 0.191395, ChaoSeadSP = 15790, ChaoSeadLV = 0.113524);
+end Tertbutylmercaptan;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tetraethyleneglycol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tetraethyleneglycol.mo
new file mode 100644
index 0000000..6326775
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tetraethyleneglycol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Tetraethyleneglycol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 160, name = "Tetraethyleneglycol", CAS = "112-60-7", Tc = 795, Pc = 2590000, Vc = 0.564, Cc = 0.221, Tb = 602.7, Tm = 268.15, TT = 268.15, TP = 0.0000138348, MW = 194.226, LVB = 0.172862, AF = 0.917442, SP = 23690, DM = 1.08E-29, SH = -168070000.0, IGHF = -8.83E+08, GEF = -5.599E+08, AS = 650100, HFMP = 3.66E+07, HOC = -4.3431E+09, LiqDen = {105, 0.46229, 0.26105, 795, 0.27055, 0}, VP = {101, 106.7938, -15323.17, -10.86107, -5.284752E-07, 2}, LiqCp = {16, 180650, -180.95, 12.547, 0.0020505, -0.0000018444}, HOV = {106, 1.282157E+08, 0.159236, 1.504015, -1.941373, 0.658104}, VapCp = {16, 122630, -416.14, 13.02, 0.00050957, -2.1012E-07}, LiqVis = {101, -702.8128, 30403.47, 106.7279, -0.000116388, 2}, VapVis = {102, 7.6872E-08, 0.801, 119.91, 0.29361, 0}, LiqK = {16, -0.11138, -134.47, -0.46393, -0.00084854, -4.1141E-07}, VapK = {102, 0.00016749, 0.91863, 699.93, 16777, 0}, Racketparam = 0, UniquacR = 8.1269, UniquacQ = 7.440001, ChaoSeadAF = 0.930639, ChaoSeadSP = 23571.8, ChaoSeadLV = 0.173363);
+end Tetraethyleneglycol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tetrahydrofuran.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tetrahydrofuran.mo
new file mode 100644
index 0000000..2c7451a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Tetrahydrofuran.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Tetrahydrofuran
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 84, name = "Tetrahydrofuran", CAS = "109-99-9", Tc = 540.2, Pc = 5190000, Vc = 0.224, Cc = 0.259, Tb = 339.12, Tm = 164.65, TT = 164.65, TP = 0.195542, MW = 72.107, LVB = 0.08171, AF = 0.225, SP = 18970, DM = 5.44E-30, SH = -17100000.0, IGHF = -1.8418E+08, GEF = -7.969E+07, AS = 297290, HFMP = 8540000, HOC = -2.325E+09, LiqDen = {105, 1.054, 0.25754, 540.2, 0.26776, 0}, VP = {101, 82.74347, -6236.553, -9.221137, 0.0000078089, 2}, LiqCp = {16, 83351, 774.14, 0.38273, 0.036255, -0.00003559}, HOV = {106, 4.770629E+07, 0.8303, -0.617577, -0.253996, 0.501899}, VapCp = {16, 41616, -744.85, 13.048, -0.00029616, 7.4486E-08}, LiqVis = {101, -10.047, 896.61, -0.11864, 2.5625E-07, 2}, VapVis = {102, 3.3286E-07, 0.67758, 342.35, -15667, 0}, LiqK = {16, -0.22085, 9.5971, -0.99496, -0.00017415, -6.4958E-07}, VapK = {102, 0.000010439, 1.4482, 729.36, -9829.3, 0}, Racketparam = 0.259, UniquacR = 2.94, UniquacQ = 2.4, ChaoSeadAF = 0.225, ChaoSeadSP = 19042.3, ChaoSeadLV = 0.0819417);
+end Tetrahydrofuran;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Thiophene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Thiophene.mo
new file mode 100644
index 0000000..a28a4a8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Thiophene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Thiophene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 72, name = "Thiophene", CAS = "110-02-1", Tc = 580, Pc = 5660000, Vc = 0.219, Cc = 0.252, Tb = 357.31, Tm = 234.94, TT = 234.94, TP = 185.638, MW = 84.142, LVB = 0.07947, AF = 0.186, SP = 20120, DM = 1.8E-30, SH = 304600000.0, IGHF = 1.1544E+08, GEF = 1.267E+08, AS = 278400, HFMP = 5085600, HOC = -2.4352E+09, LiqDen = {105, 0.73395, 0.21494, 580, 0.2288, 0}, VP = {101, 88.26733, -6809.188, -9.975872, 0.0000074967, 2}, LiqCp = {16, 84631, -77.085, 9.4174, 0.0060386, -0.0000042543}, HOV = {106, 4.87E+07, 0.35468, 0.57965, -0.92941, 0.39593}, VapCp = {16, 31580, -546.03, 12.548, -0.00032144, 9.6227E-08}, LiqVis = {101, -15.561, 1306.6, 0.66009, 3.2071E-07, 2}, VapVis = {102, 0.0000010722, 0.54275, 557.27, 2874.5, 0}, LiqK = {16, 0.024119, -20.319, -1.5338, -0.0014869, -6.6677E-07}, VapK = {102, 0.00013168, 0.98328, 649.4, -5290.1, 0}, Racketparam = 0.274238, UniquacR = 2.8569, UniquacQ = 2.14, ChaoSeadAF = 0.192846, ChaoSeadSP = 20219.8, ChaoSeadLV = 0.0794773);
+end Thiophene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeFivedinitrotoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeFivedinitrotoluene.mo
new file mode 100644
index 0000000..8835e68
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeFivedinitrotoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreeFivedinitrotoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 391, name = "ThreeFivedinitrotoluene", CAS = "618-85-9", Tc = 800, Pc = 2150000, Vc = 0.487, Cc = 0.238, Tb = 588, Tm = 366.15, TT = 365.65, TP = 35.4684, MW = 182.134, LVB = 0.140577, AF = 0.702302, SP = 21440, DM = 1.44E-29, SH = -22600000.0, IGHF = 2.71E+07, GEF = 2.34E+08, AS = 414000, HFMP = 2.29E+07, HOC = -3.437E+09, LiqDen = {105, 0.45727, 0.227, 814.01, 0.27155, 0}, VP = {101, 63.61855, -10355.64, -5.423477, 2.374318E-07, 2}, LiqCp = {16, 211860, -5.3058, 8.1208, 0.009225, -0.0000034389}, HOV = {106, 5.989509E+07, -0.991558, 3.414071, -4.448985, 2.238465}, VapCp = {16, 94512, -582.56, 13.27, -0.00026587, 5.3735E-08}, LiqVis = {101, -0.25652, 2097.7, -2.0147, 0.0000014987, 2}, VapVis = {102, 4.7633E-08, 0.90246, 116.57, -8469.6, 0}, LiqK = {16, -0.029795, -134.57, -0.63203, -0.0021751, 3.0388E-07}, VapK = {102, 0.00014433, 0.92815, 684.42, 24021, 0}, Racketparam = 0.238, UniquacR = 5.7, UniquacQ = 4.376, ChaoSeadAF = 0.702302, ChaoSeadSP = 21440, ChaoSeadLV = 0.140577);
+end ThreeFivedinitrotoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeFourdimethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeFourdimethylhexane.mo
new file mode 100644
index 0000000..f597507
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeFourdimethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreeFourdimethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 235, name = "ThreeFourdimethylhexane", CAS = "583-48-2", Tc = 568.8, Pc = 2690000, Vc = 0.4588, Cc = 0.265, Tb = 390.88, Tm = 0, TT = 0, TP = 0, MW = 114.231, LVB = 0.15973, AF = 0.338, SP = 15140, DM = 0, SH = -1209000000.0, IGHF = -2.13007E+08, GEF = 1.674E+07, AS = 451580, HFMP = 0, HOC = -5.07251E+09, LiqDen = {105, 0.45439, 0.24011, 568.8, 0.23618, 0}, VP = {101, 93.68625, -7521.509, -10.73445, 7.52569E-06, 2}, LiqCp = {16, -327870, 47.226, 12.229, 0.0041484, -0.000004128}, HOV = {106, 5.4702E+07, 0.45918, 0.1856, -0.51513, 0.26338}, VapCp = {16, 34075, -331.34, 12.881, 0.00054108, -1.7153E-07}, LiqVis = {101, -41.742, 2125.1, 4.8163, -0.0000056466, 2}, VapVis = {102, 6.4152E-07, 0.51789, 310.46, 157.69, 0}, LiqK = {16, -0.0004002, -144.47, -0.57247, -0.0042745, 0.0000010836}, VapK = {102, 0.000020807, 1.2133, -200.76, 152640, 0}, Racketparam = 0.265, UniquacR = 5.847, UniquacQ = 4.928, ChaoSeadAF = 0.338, ChaoSeadSP = 15140, ChaoSeadLV = 0.15973);
+end ThreeFourdimethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeFourdinitrotoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeFourdinitrotoluene.mo
new file mode 100644
index 0000000..4d62a57
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeFourdinitrotoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreeFourdinitrotoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 389, name = "ThreeFourdinitrotoluene", CAS = "610-39-9", Tc = 842, Pc = 3400000, Vc = 0.487, Cc = 0.237, Tb = 610, Tm = 331.45, TT = 331.45, TP = 2.66366, MW = 182.134, LVB = 0.139231, AF = 0.709209, SP = 21410, DM = 2.13E-29, SH = -22600000.0, IGHF = 3.58E+07, GEF = 2.59E+08, AS = 414000, HFMP = 2.08E+07, HOC = -3.466E+09, LiqDen = {105, 0.48567, 0.23619, 842, 0.28583, 0}, VP = {101, 62.33838, -11025.98, -5.109566, 1.997931E-07, 2}, LiqCp = {16, 144440, 677.88, 6.2554, 0.011911, -0.000005235}, HOV = {106, 6.888359E+07, -1.153409, 5.750305, -8.495374, 4.124815}, VapCp = {16, 94512, -582.56, 13.27, -0.00026587, 5.3735E-08}, LiqVis = {101, -13.817, 2734.2, 0.029663, -2.4471E-08, 2}, VapVis = {102, 2.8655E-08, 0.96106, 104.06, -10189, 0}, LiqK = {16, -0.082395, -25.284, -1.0996, -0.00075328, -2.6136E-07}, VapK = {102, 0.0001043, 0.96342, 702.61, 22699, 0}, Racketparam = 0.237, UniquacR = 5.7, UniquacQ = 4.376, ChaoSeadAF = 0.709209, ChaoSeadSP = 21410, ChaoSeadLV = 0.139231);
+end ThreeFourdinitrotoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreeFivetrimethylheptane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreeFivetrimethylheptane.mo
new file mode 100644
index 0000000..e5a020b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreeFivetrimethylheptane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreeThreeFivetrimethylheptane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 251, name = "ThreeThreeFivetrimethylheptane", CAS = "7154-80-5", Tc = 609.6, Pc = 2320000, Vc = 0.564, Cc = 0.258, Tb = 428.83, Tm = 165, TT = 165, TP = 0.0000151957, MW = 142.285, LVB = 0.19248, AF = 0.383, SP = 15010, DM = 0, SH = -1209000000.0, IGHF = -2.588E+08, GEF = 3.23E+07, AS = 513420, HFMP = 1.4E+07, HOC = -6.2911E+09, LiqDen = {105, 0.32798, 0.22465, 609.6, 0.2413, 0}, VP = {101, 165.0702, -10873.83, -21.67781, 0.0000174271, 2}, LiqCp = {16, 181900, 88.778, 8.7398, 0.011239, -0.0000078705}, HOV = {106, 5.692041E+07, -0.369689, 2.788348, -3.430471, 1.37842}, VapCp = {16, 93450, -461.09, 13.294, 0.00031582, -1.0309E-07}, LiqVis = {101, -7.8795, 1294.8, -0.60549, -4.2086E-07, 2}, VapVis = {102, 5.7085E-07, 0.52829, 329.98, -4470.2, 0}, LiqK = {16, 0.0037809, -39.052, -1.5072, -0.0019367, -8.6862E-07}, VapK = {102, 0.000042493, 1.1211, -89.298, 167970, 0}, Racketparam = 0.258, UniquacR = 7.1951, UniquacQ = 6.088, ChaoSeadAF = 0.383, ChaoSeadSP = 15010, ChaoSeadLV = 0.19248);
+end ThreeThreeFivetrimethylheptane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreediethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreediethylpentane.mo
new file mode 100644
index 0000000..3702b87
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreediethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreeThreediethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 241, name = "ThreeThreediethylpentane", CAS = "1067-20-5", Tc = 610.05, Pc = 2674980, Vc = 0.473, Cc = 0.249, Tb = 419.34, Tm = 240.12, TT = 240.12, TP = 13.7918, MW = 128.255, LVB = 0.171012, AF = 0.3379, SP = 15220, DM = 0, SH = -1209000000.0, IGHF = -2.31835E+08, GEF = 4.17E+07, AS = 436500, HFMP = 9800000, HOC = -5.68438E+09, LiqDen = {105, 0.61216, 0.28967, 610.05, 0.29325, 0}, VP = {101, 143.8917, -9842.666, -18.51396, 0.000016514, 2}, LiqCp = {16, 167890, 37.678, 8.6605, 0.012988, -0.000011813}, HOV = {106, 5.0222E+07, -0.028455, 0.90984, -0.78409, 0.24027}, VapCp = {16, 120540, -563.25, 13.32, 0.00012473, -3.6626E-08}, LiqVis = {101, -12.975, 1131.8, 0.25767, -3.4761E-07, 2}, VapVis = {102, 3.6575E-07, 0.57536, 184.44, 2017.7, 0}, LiqK = {16, -0.021495, -29.993, -1.4603, -0.0013716, -7.6272E-07}, VapK = {102, 0.000069723, 1.0959, 342.29, 74930, 0}, Racketparam = 0.249, UniquacR = 6.5215, UniquacQ = 5.552, ChaoSeadAF = 0.3379, ChaoSeadSP = 15220, ChaoSeadLV = 0.171012);
+end ThreeThreediethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreedimethylTwobutanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreedimethylTwobutanone.mo
new file mode 100644
index 0000000..3296937
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreedimethylTwobutanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreeThreedimethylTwobutanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 315, name = "ThreeThreedimethylTwobutanone", CAS = "75-97-8", Tc = 567, Pc = 3470000, Vc = 0.368, Cc = 0.261, Tb = 379.45, Tm = 221.15, TT = 221.15, TP = 14.4334, MW = 100.159, LVB = 0.124869, AF = 0.327309, SP = 16920, DM = 9.37E-30, SH = -1209000000.0, IGHF = -2.905E+08, GEF = -1.307E+08, AS = 384400, HFMP = 1.133E+07, HOC = -3.4837E+09, LiqDen = {105, 0.050005, 0.070782, 567, 0.11676, 0}, VP = {101, 93.48771, -7385.263, -10.71444, 7.878115E-06, 2}, LiqCp = {16, 154180, 195.77, 7.7152, 0.0092036, -0.0000029177}, HOV = {106, 5.0163E+07, 0.36416, -0.10654, 0.27936, -0.16414}, VapCp = {16, 104260, -866.95, 13.572, -0.00063607, 2.0716E-07}, LiqVis = {101, -19.254, 1373.2, 1.3346, -0.0000032641, 2}, VapVis = {102, 1.8869E-07, 0.70026, 190.78, -6542.3, 0}, LiqK = {16, -0.15399, 9.8963, -1.0886, -0.00030883, -9.2007E-07}, VapK = {102, 1744.4, 1.0305, 1.6872E+10, -1.3896E+11, 0}, Racketparam = 0.261, UniquacR = 4.5952, UniquacQ = 4.032, ChaoSeadAF = 0.327309, ChaoSeadSP = 16920, ChaoSeadLV = 0.124869);
+end ThreeThreedimethylTwobutanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreedimethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreedimethylhexane.mo
new file mode 100644
index 0000000..c11b666
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreedimethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreeThreedimethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 234, name = "ThreeThreedimethylhexane", CAS = "563-16-6", Tc = 562, Pc = 2650000, Vc = 0.4428, Cc = 0.251, Tb = 385.12, Tm = 147.05, TT = 147.05, TP = 0.0000473645, MW = 114.231, LVB = 0.16181, AF = 0.32, SP = 14880, DM = 0, SH = -1209000000.0, IGHF = -2.2012E+08, GEF = 1.32633E+07, AS = 438230, HFMP = 7112800, HOC = -5.06682E+09, LiqDen = {105, 0.45959, 0.24567, 562, 0.21162, 0}, VP = {101, 109.95, -8119.3, -13.232, 0.0000097251, 2}, LiqCp = {16, 130950, -54.41, 9.7102, 0.0098373, -0.0000089507}, HOV = {106, 5.8755E+07, 0.81257, -0.27217, -0.51422, 0.40803}, VapCp = {16, 73854, -426.62, 12.974, 0.00044554, -1.4645E-07}, LiqVis = {101, -7.0202, 924.42, -0.69061, 0.0000021821, 2}, VapVis = {102, 1.9286E-07, 0.65784, 75.166, 8686.9, 0}, LiqK = {16, -0.074777, 3.6654, -1.4953, -0.00045709, -0.000001113}, VapK = {102, 0.000028072, 1.1786, -168.43, 151580, 0}, Racketparam = 0.251, UniquacR = 5.8471, UniquacQ = 5.012, ChaoSeadAF = 0.32, ChaoSeadSP = 14880, ChaoSeadLV = 0.16181);
+end ThreeThreedimethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreedimethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreedimethylpentane.mo
new file mode 100644
index 0000000..2c7b4d5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreeThreedimethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreeThreedimethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 224, name = "ThreeThreedimethylpentane", CAS = "562-49-2", Tc = 536.3, Pc = 2950000, Vc = 0.4141, Cc = 0.274, Tb = 359.19, Tm = 138.7, TT = 138.7, TP = 0.000229687, MW = 100.204, LVB = 0.1454, AF = 0.269, SP = 14530, DM = 0, SH = -1209000000.0, IGHF = -2.0146E+08, GEF = 2719600, AS = 398150, HFMP = 7066780, HOC = -4.45458E+09, LiqDen = {105, 0.57981, 0.25238, 536.41, 0.28345, 0}, VP = {101, 74.58125, -6059.883, -7.986446, 6.250113E-06, 2}, LiqCp = {16, 122500, 86.779, 8.7861, 0.0099608, -0.0000069264}, HOV = {106, 5.254E+07, 1.1834, -1.8011, 1.5275, -0.48856}, VapCp = {16, 67595, -428.94, 12.79, 0.00052141, -1.6453E-07}, LiqVis = {101, -7.1051, 998.94, -0.73694, 0.0000026961, 2}, VapVis = {102, 9.3561E-07, 0.48169, 385.32, 9.0702, 0}, LiqK = {16, -0.050708, 3.465, -1.5874, -0.00046821, -0.000001622}, VapK = {102, 0.000069501, 1.0643, -68.32, 160740, 0}, Racketparam = 0.274, UniquacR = 5.1727, UniquacQ = 4.472, ChaoSeadAF = 0.269, ChaoSeadSP = 14530, ChaoSeadLV = 0.1454);
+end ThreeThreedimethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeethylheptane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeethylheptane.mo
new file mode 100644
index 0000000..47db976
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeethylheptane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threeethylheptane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 249, name = "Threeethylheptane", CAS = "15869-80-4", Tc = 594.3, Pc = 2430000, Vc = 0.5213, Cc = 0.257, Tb = 416.35, Tm = 158.25, TT = 158.25, TP = 0.0000277743, MW = 128.255, LVB = 0.177515, AF = 0.407991, SP = 15300, DM = 0, SH = -1209000000.0, IGHF = -2.3146E+08, GEF = 2.494E+07, AS = 497400, HFMP = 1.6E+07, HOC = -5.6838E+09, LiqDen = {105, 0.38578, 0.23273, 594.3, 0.25158, 0}, VP = {101, 103.6653, -8269.445, -12.32292, 0.000012256, 2}, LiqCp = {16, 29546, -3.2521, 11.386, 0.0045932, -0.0000035582}, HOV = {106, 6.3311E+07, 1.0505, -1.9581, 2.2955, -0.98973}, VapCp = {16, 137360, -689.88, 13.586, -0.00018791, 5.2355E-08}, LiqVis = {101, -11.279, 1149.8, -0.019903, 1.7111E-07, 2}, VapVis = {102, 0.0000007497, 0.48637, 340.94, -2876.9, 0}, LiqK = {16, -0.038271, 3.4169, -1.6847, -0.00052626, -0.0000013295}, VapK = {102, 0.000030963, 1.1527, -150.17, 156710, 0}, Racketparam = 0.257, UniquacR = 6.5222, UniquacQ = 5.472, ChaoSeadAF = 0.407991, ChaoSeadSP = 15300, ChaoSeadLV = 0.177515);
+end Threeethylheptane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeethylhexane.mo
new file mode 100644
index 0000000..9ed8a76
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threeethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 229, name = "Threeethylhexane", CAS = "619-99-8", Tc = 565.4, Pc = 2610000, Vc = 0.4605, Cc = 0.253, Tb = 391.69, Tm = 0, TT = 0, TP = 0, MW = 114.231, LVB = 0.16101, AF = 0.362, SP = 15210, DM = 0, SH = -1209000000.0, IGHF = -2.10874E+08, GEF = 1.68615E+07, AS = 457860, HFMP = 0, HOC = -5.07398E+09, LiqDen = {105, 0.46206, 0.24436, 565.51, 0.22747, 0}, VP = {101, 97.09596, -7733.566, -11.22583, 7.810756E-06, 2}, LiqCp = {16, 80628, -64.909, 11.186, 0.0048319, -0.0000040172}, HOV = {106, 5.4799E+07, 0.26737, 0.81877, -1.2904, 0.59915}, VapCp = {16, 115160, -618.28, 13.279, 0.0000464, -2.6202E-08}, LiqVis = {101, -7.8742, 897.68, -0.5066, 2.0784E-08, 2}, VapVis = {102, 3.7627E-07, 0.57415, 196.9, -172.94, 0}, LiqK = {16, -0.001637, -138.28, -0.62782, -0.0040963, 8.9774E-07}, VapK = {102, 0.000056588, 1.0789, -123.05, 173090, 0}, Racketparam = 0.253, UniquacR = 5.8478, UniquacQ = 4.932, ChaoSeadAF = 0.362, ChaoSeadSP = 15210, ChaoSeadLV = 0.16101);
+end Threeethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeethylpentane.mo
new file mode 100644
index 0000000..47d2f57
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threeethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 220, name = "Threeethylpentane", CAS = "617-78-7", Tc = 540.5, Pc = 2890000, Vc = 0.4158, Cc = 0.267, Tb = 366.63, Tm = 154.55, TT = 154.55, TP = 0.00170947, MW = 100.204, LVB = 0.1444, AF = 0.311, SP = 15040, DM = 0, SH = -1209000000.0, IGHF = -1.89661E+08, GEF = 1.09202E+07, AS = 411540, HFMP = 9547890, HOC = -4.4642E+09, LiqDen = {105, 0.56112, 0.24813, 540.61, 0.27074, 0}, VP = {101, 89.99315, -6915.896, -10.27777, 8.039283E-06, 2}, LiqCp = {16, 152590, 204.56, 5.9318, 0.021701, -0.000022224}, HOV = {106, 5.3257E+07, 1.2647, -2.6729, 3.1124, -1.3109}, VapCp = {16, 102980, -630.04, 13.15, 0.000058616, -2.6799E-08}, LiqVis = {101, -11.885, 1001.1, 0.10351, -0.0000003544, 2}, VapVis = {102, 6.1521E-07, 0.52741, 287.77, 1840.5, 0}, LiqK = {16, -0.055574, 4.7874, -1.5746, -0.0003945, -0.0000016303}, VapK = {102, 0.000065519, 1.0691, -74.423, 161360, 0}, Racketparam = 0.267, UniquacR = 5.1734, UniquacQ = 4.392, ChaoSeadAF = 0.311, ChaoSeadSP = 15040, ChaoSeadLV = 0.1444);
+end Threeethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeheptanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeheptanone.mo
new file mode 100644
index 0000000..f30c3f1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threeheptanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threeheptanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 308, name = "Threeheptanone", CAS = "106-35-4", Tc = 605, Pc = 3010000, Vc = 0.421, Cc = 0.251, Tb = 420.55, Tm = 234.15, TT = 234.15, TP = 2.29921, MW = 114.185, LVB = 0.140257, AF = 0.407565, SP = 17940, DM = 9.37E-30, SH = -1209000000.0, IGHF = -3.01E+08, GEF = -1.196E+08, AS = 448500, HFMP = 1.81E+07, HOC = -4.098E+09, LiqDen = {105, 0.65544, 0.26958, 605, 0.29059, 0}, VP = {101, 59.93996, -7156.968, -5.201278, 1.288938E-07, 2}, LiqCp = {16, 215140, 447.78, 3.9106, 0.020539, -0.000013511}, HOV = {106, 6.726896E+07, 0.830475, -1.256385, 1.592723, -0.756362}, VapCp = {16, 122140, -668.77, 13.117, -0.0000064986, -3.4969E-08}, LiqVis = {101, -11.982, 1284.2, 0.095491, -8.1894E-07, 2}, VapVis = {102, 1.4757E-07, 0.71999, 184.44, -6805, 0}, LiqK = {16, -0.025728, -61.893, -0.97852, -0.0021604, 1.2683E-07}, VapK = {102, 1201.8, 1.0398, 1.4113E+10, -9.6162E+10, 0}, Racketparam = 0.251, UniquacR = 5.2711, UniquacQ = 4.496, ChaoSeadAF = 0.407565, ChaoSeadSP = 17940, ChaoSeadLV = 0.140257);
+end Threeheptanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threehexanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threehexanone.mo
new file mode 100644
index 0000000..906769a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threehexanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threehexanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 310, name = "Threehexanone", CAS = "589-38-8", Tc = 582.8, Pc = 3320000, Vc = 0.378, Cc = 0.256, Tb = 396.65, Tm = 215, TT = 217.5, TP = 2.22016, MW = 100.161, LVB = 0.12343, AF = 0.38, SP = 17930, DM = 9.57E-30, SH = -1209000000.0, IGHF = -2.777E+08, GEF = -1.253E+08, AS = 409200, HFMP = 1.11E+07, HOC = -3.492E+09, LiqDen = {105, 0.60844, 0.24303, 582.83, 0.26177, 0}, VP = {101, 109.4591, -8520.55, -13.01531, 9.019631E-06, 2}, LiqCp = {16, 185400, 578.77, 3.0261, 0.02276, -0.000015777}, HOV = {106, 5.134266E+07, -0.294625, 1.94188, -1.96318, 0.653572}, VapCp = {16, 108160, -675.23, 12.973, -0.000036372, -1.5789E-08}, LiqVis = {101, -3.119, 957.18, -1.3764, 0.0000033013, 2}, VapVis = {102, 1.7969E-07, 0.70065, 200.48, -7668.6, 0}, LiqK = {16, 0.0083801, 80.808, -2.2377, 0.00083175, -0.0000033028}, VapK = {102, -0.24291, 0.11759, -2306.6, -3681900, 0}, Racketparam = 0.256, UniquacR = 4.5967, UniquacQ = 3.956, ChaoSeadAF = 0.38, ChaoSeadSP = 17930, ChaoSeadLV = 0.12343);
+end Threehexanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreemethylOnebutene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreemethylOnebutene.mo
new file mode 100644
index 0000000..e2e7166
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreemethylOnebutene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreemethylOnebutene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 106, name = "ThreemethylOnebutene", CAS = "563-45-1", Tc = 452.7, Pc = 3550000, Vc = 0.3049, Cc = 0.288, Tb = 293.21, Tm = 104.66, TT = 104.66, TP = 0.0000144678, MW = 70.134, LVB = 0.11277, AF = 0.211, SP = 13780, DM = 1.07E-30, SH = -27600000.0, IGHF = -2.76E+07, GEF = 7.605E+07, AS = 333900, HFMP = 5359700, HOC = -3.1253E+09, LiqDen = {105, 0.85968, 0.26229, 452.7, 0.27579, 0}, VP = {101, 74.66163, -4956.256, -8.290047, 0.0000100425, 2}, LiqCp = {16, 94996, 92.422, 8.4061, 0.009093, -0.0000045826}, HOV = {106, 3.9174E+07, 0.58094, 0.12579, -0.78785, 0.49354}, VapCp = {16, 82557, -671.08, 12.784, -0.00012458, 4.234E-08}, LiqVis = {101, -11.214, 821.55, -0.010133, 9.4673E-08, 2}, VapVis = {102, 0.0000016555, 0.42535, 455.3, 876.91, 0}, LiqK = {16, -0.017622, 5.9209, -1.694, -0.00045405, -0.0000033564}, VapK = {102, 0.00014816, 0.97375, 75.281, 116540, 0}, Racketparam = 0.272045, UniquacR = 3.5945, UniquacQ = 3.1, ChaoSeadAF = 0.2285, ChaoSeadSP = 14010.2, ChaoSeadLV = 0.111819);
+end ThreemethylOnebutene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreemethylThreeethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreemethylThreeethylpentane.mo
new file mode 100644
index 0000000..09477f2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/ThreemethylThreeethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model ThreemethylThreeethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 237, name = "ThreemethylThreeethylpentane", CAS = "1067-08-9", Tc = 576.5, Pc = 2810000, Vc = 0.4551, Cc = 0.267, Tb = 391.42, Tm = 182.28, TT = 182.28, TP = 0.0625263, MW = 114.231, LVB = 0.15788, AF = 0.305, SP = 15060, DM = 0, SH = -1209000000.0, IGHF = -2.1485E+08, GEF = 2.288E+07, AS = 432960, HFMP = 1.08E+07, HOC = -5.0716E+09, LiqDen = {105, 0.59884, 0.27253, 576.5, 0.28169, 0}, VP = {101, 85.77668, -7097.92, -9.572218, 6.70781E-06, 2}, LiqCp = {16, 77769, 172.95, 9.182, 0.01021, -0.0000086615}, HOV = {106, 6.3775E+07, 1.5194, -2.4569, 2.0687, -0.69375}, VapCp = {16, 89715, -509.11, 13.135, 0.00024858, -7.767E-08}, LiqVis = {101, -18.59, 1270.3, 1.2467, -0.0000036226, 2}, VapVis = {102, 7.5822E-07, 0.50218, 361.22, -3635.6, 0}, LiqK = {16, -0.037427, 7.7785, -1.7161, -0.00028317, -0.0000017728}, VapK = {102, 0.000021773, 1.2197, -136.64, 138470, 0}, Racketparam = 0.267, UniquacR = 5.8471, UniquacQ = 5.012, ChaoSeadAF = 0.305, ChaoSeadSP = 15060, ChaoSeadLV = 0.15788);
+end ThreemethylThreeethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylheptane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylheptane.mo
new file mode 100644
index 0000000..df57ec2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylheptane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threemethylheptane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 227, name = "Threemethylheptane", CAS = "589-81-1", Tc = 563.6, Pc = 2550000, Vc = 0.4711, Cc = 0.253, Tb = 392.08, Tm = 152.65, TT = 152.6, TP = 0.0000523002, MW = 114.231, LVB = 0.16278, AF = 0.371, SP = 15180, DM = 0, SH = -1209000000.0, IGHF = -2.1251E+08, GEF = 1.275E+07, AS = 465510, HFMP = 1.163E+07, HOC = -5.0721E+09, LiqDen = {105, 0.48768, 0.25064, 563.66, 0.24544, 0}, VP = {101, 94.76732, -7652.539, -10.86325, 7.450521E-06, 2}, LiqCp = {16, 137930, 50.329, 9.9028, 0.0059467, -0.0000024618}, HOV = {106, 6.899021E+07, 1.39863, -1.771662, 1.093723, -0.270846}, VapCp = {16, 103080, -583.42, 13.271, 0.000052348, -2.126E-08}, LiqVis = {101, -7.3817, 976.23, -0.66335, 0.0000021183, 2}, VapVis = {102, 0.0000069865, 0.21161, 854.03, -2592.5, 0}, LiqK = {16, -0.043161, 22.706, -1.6829, -0.000063735, -0.0000020484}, VapK = {102, 0.000042535, 1.1138, -151.71, 168420, 0}, Racketparam = 0.253, UniquacR = 5.8478, UniquacQ = 4.932, ChaoSeadAF = 0.371, ChaoSeadSP = 15180, ChaoSeadLV = 0.16278);
+end Threemethylheptane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylhexane.mo
new file mode 100644
index 0000000..b9f731c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threemethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 219, name = "Threemethylhexane", CAS = "589-34-4", Tc = 535.2, Pc = 2810000, Vc = 0.404, Cc = 0.255, Tb = 365, Tm = 153.75, TT = 153.75, TP = 0.00321303, MW = 100.204, LVB = 0.14674, AF = 0.323, SP = 14950, DM = 0, SH = -1209000000.0, IGHF = -1.9133E+08, GEF = 5080000, AS = 425930, HFMP = 9460000, HOC = -4.46177E+09, LiqDen = {105, 0.53784, 0.24926, 535.2, 0.22945, 0}, VP = {101, 86.76736, -6773.074, -9.77749, 7.535909E-06, 2}, LiqCp = {16, 151720, 437.07, 3.0907, 0.032504, -0.000034822}, HOV = {106, 5.817768E+07, 1.085699, -1.05321, 0.37877, 0.0254378}, VapCp = {16, 80171, -511.41, 12.979, 0.00025345, -8.5984E-08}, LiqVis = {101, -11.794, 999.53, 0.086997, -2.3727E-07, 2}, VapVis = {102, 4.5226E-07, 0.55481, 210.53, 14.061, 0}, LiqK = {16, -0.14432, 11.474, -1.2132, -0.00022172, -0.0000010949}, VapK = {102, 0.000041038, 1.1288, -121.44, 150080, 0}, Racketparam = 0.255, UniquacR = 5.1734, UniquacQ = 4.392, ChaoSeadAF = 0.323, ChaoSeadSP = 14950, ChaoSeadLV = 0.14674);
+end Threemethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylnonane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylnonane.mo
new file mode 100644
index 0000000..a659db0
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylnonane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threemethylnonane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 253, name = "Threemethylnonane", CAS = "5911-04-6", Tc = 613.7, Pc = 2140000, Vc = 0.5904, Cc = 0.247, Tb = 440.95, Tm = 188.35, TT = 188.35, TP = 0.000565366, MW = 142.282, LVB = 0.195076, AF = 0.464925, SP = 15470, DM = 0, SH = -1209000000.0, IGHF = -2.544E+08, GEF = 2.88E+07, AS = 543900, HFMP = 1.88E+07, HOC = -6.291E+09, LiqDen = {105, 0.19012, 0.17319, 613.7, 0.19349, 0}, VP = {101, 90.738, -8476.8, -10.023, 0.0000053448, 2}, LiqCp = {16, 78506, 74.892, 11.023, 0.0040568, -0.0000015927}, HOV = {106, 8.354164E+07, 1.024481, -0.0908156, -1.228122, 0.762381}, VapCp = {16, 133050, -599.42, 13.53, -0.000017353, -3.363E-09}, LiqVis = {101, -12.922, 1267.3, 0.28159, -8.3807E-07, 2}, VapVis = {102, 6.1879E-07, 0.49638, 289.26, -877.62, 0}, LiqK = {16, -0.1781, 10.557, -1.078, -0.00023148, -6.8221E-07}, VapK = {102, 0.000033407, 1.1338, -162.76, 171650, 0}, Racketparam = 0.247, UniquacR = 7.196599, UniquacQ = 6.012, ChaoSeadAF = 0.464925, ChaoSeadSP = 15470, ChaoSeadLV = 0.195076);
+end Threemethylnonane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethyloctane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethyloctane.mo
new file mode 100644
index 0000000..212e598
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethyloctane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threemethyloctane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 247, name = "Threemethyloctane", CAS = "2216-33-3", Tc = 590.15, Pc = 2340000, Vc = 0.529, Cc = 0.252, Tb = 417.38, Tm = 165.55, TT = 165.55, TP = 0.0000898613, MW = 128.255, LVB = 0.178944, AF = 0.412346, SP = 15380, DM = 0, SH = -1209000000.0, IGHF = -2.336E+08, GEF = 2.17E+07, AS = 501660, HFMP = 1.7E+07, HOC = -5.68128E+09, LiqDen = {105, 0.4999, 0.26438, 590.15, 0.29155, 0}, VP = {101, 169.345, -11170.36, -22.26865, 0.0000190112, 2}, LiqCp = {16, 39163, 25.328, 11.626, 0.0021572, 2.6369E-07}, HOV = {106, 6.3378E+07, 0.67667, -0.53996, 0.45608, -0.18958}, VapCp = {16, 118620, -596.81, 13.418, 0.0000088283, -1.2271E-08}, LiqVis = {101, -11.252, 1147.6, -0.021999, 4.3706E-08, 2}, VapVis = {102, 4.9482E-07, 0.53152, 245.99, 4.1109, 0}, LiqK = {16, -0.1642, 10.91, -1.1265, -0.00023366, -7.9637E-07}, VapK = {102, 0.000040968, 1.1096, -178.72, 180220, 0}, Racketparam = 0.252, UniquacR = 6.5222, UniquacQ = 5.472, ChaoSeadAF = 0.412346, ChaoSeadSP = 15380, ChaoSeadLV = 0.178944);
+end Threemethyloctane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylpentane.mo
new file mode 100644
index 0000000..53fed46
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threemethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threemethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 137, name = "Threemethylpentane", CAS = "96-14-0", Tc = 504.4, Pc = 3120000, Vc = 0.3667, Cc = 0.273, Tb = 336.4, Tm = 110.251, TT = 110.25, TP = 4.13745E-07, MW = 86.177, LVB = 0.13062, AF = 0.273, SP = 14680, DM = 0, SH = -168070000.0, IGHF = -1.72E+08, GEF = -3420000, AS = 383000, HFMP = 5303200, HOC = -3.85137E+09, LiqDen = {105, 0.64191, 0.2518, 504.61, 0.25114, 0}, VP = {101, 103.3869, -6792.289, -12.56583, 0.0000127267, 2}, LiqCp = {16, 124870, 37.47, 8.4986, 0.010489, -0.0000074005}, HOV = {106, 5.261039E+07, 1.021512, -0.656827, -0.222599, 0.294618}, VapCp = {16, 66323, -479.35, 12.713, 0.00041058, -1.3725E-07}, LiqVis = {101, -4.4466, 561.39, -0.97496, -4.1525E-07, 2}, VapVis = {102, 0.0000014857, 0.42502, 455.77, 119.73, 0}, LiqK = {16, 0.013685, 32.912, -2.24, 0.00097964, -0.0000056292}, VapK = {102, 0.000050178, 1.1143, -67.556, 138050, 0}, Racketparam = 0.2575, UniquacR = 4.499, UniquacQ = 3.852, ChaoSeadAF = 0.275, ChaoSeadSP = 14871.5, ChaoSeadLV = 0.130633);
+end Threemethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threepentanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threepentanone.mo
new file mode 100644
index 0000000..9185013
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Threepentanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Threepentanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 111, name = "Threepentanone", CAS = "96-22-0", Tc = 561.5, Pc = 3730000, Vc = 0.336, Cc = 0.268, Tb = 375.14, Tm = 234.18, TT = 234.18, TP = 73.4224, MW = 86.134, LVB = 0.10641, AF = 0.342, SP = 18410, DM = 9.41E-30, SH = -27600000.0, IGHF = -2.579E+08, GEF = -1.344E+08, AS = 370000, HFMP = 1.159E+07, HOC = -2.8804E+09, LiqDen = {105, 0.68664, 0.23603, 561.5, 0.27471, 0}, VP = {101, 58.885, -6044.5, -5.3259, 0.0000023057, 2}, LiqCp = {16, 169130, 405.25, 3.0239, 0.024087, -0.000018434}, HOV = {106, 5.083729E+07, 0.764461, -0.828447, -0.00277131, 0.530942}, VapCp = {16, 93124, -637.87, 12.577, 0.00022827, -1.0612E-07}, LiqVis = {101, -1.367, 550.49, -1.4469, 4.9148E-07, 2}, VapVis = {102, 0.0000002611, 0.65778, 216.39, -3537.8, 0}, LiqK = {16, 0.0080662, 16.294, -1.6509, -0.0010676, -9.5001E-07}, VapK = {102, 22.162, 1.0028, 1.8597E+08, 9.2842E+08, 0}, Racketparam = 0, UniquacR = 3.9223, UniquacQ = 3.416, ChaoSeadAF = 0.344, ChaoSeadSP = 18259.5, ChaoSeadLV = 0.106401);
+end Threepentanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Toluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Toluene.mo
new file mode 100644
index 0000000..b70b061
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Toluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Toluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 140, name = "Toluene", CAS = "108-88-3", Tc = 591.75, Pc = 4108000, Vc = 0.316, Cc = 0.264, Tb = 383.79, Tm = 178.18, TT = 178.18, TP = 0.0475285, MW = 92.141, LVB = 0.10687, AF = 0.264, SP = 18250, DM = 1.2E-30, SH = -168070000.0, IGHF = 5.017E+07, GEF = 1.222E+08, AS = 320990, HFMP = 6636000, HOC = -3.734E+09, LiqDen = {105, 0.89799, 0.27359, 591.75, 0.30006, 0}, VP = {101, 32.89891, -5013.81, -1.348918, -1.869928E-06, 2}, LiqCp = {16, 28291, 48.171, 10.912, 0.0020542, 8.7875E-07}, HOV = {106, 5.3752E+07, 0.50341, 0.24755, -0.72898, 0.37794}, VapCp = {16, 47225, -565.85, 12.856, 0.000005535, -1.998E-08}, LiqVis = {101, -152.84, 5644.6, 22.826, -0.000040987, 2}, VapVis = {102, 8.5581E-07, 0.49514, 307.82, 1891.6, 0}, LiqK = {16, -0.072922, -23.153, -1.0277, -0.0017074, 3.6787E-07}, VapK = {102, 0.000006541, 1.4227, 190.97, 21890, 0}, Racketparam = 0.2646, UniquacR = 3.9228, UniquacQ = 2.968, ChaoSeadAF = 0.2591, ChaoSeadSP = 18245.86, ChaoSeadLV = 0.1068);
+end Toluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneFourdimethylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneFourdimethylcyclohexane.mo
new file mode 100644
index 0000000..dc5313f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneFourdimethylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TransOneFourdimethylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 280, name = "TransOneFourdimethylcyclohexane", CAS = "2207-04-7", Tc = 590.15, Pc = 2940000, Vc = 0.45, Cc = 0.271, Tb = 392.51, Tm = 236.21, TT = 236.21, TP = 44.9802, MW = 112.213, LVB = 0.147921, AF = 0.2429, SP = 15490, DM = 0, SH = -1209000000.0, IGHF = -1.84598E+08, GEF = 3.17147E+07, AS = 364803, HFMP = 1.2332E+07, HOC = -4.86026E+09, LiqDen = {105, 0.064652, 0.087885, 590.15, 0.13093, 0}, VP = {101, 85.56244, -7078.051, -9.547047, 6.602527E-06, 2}, LiqCp = {16, 119770, 186.95, 7.9604, 0.011554, -0.0000069633}, HOV = {106, 5.5648E+07, 0.9536, -1.3747, 1.3927, -0.55606}, VapCp = {16, 97979, -830.68, 13.935, -0.00055238, 1.5056E-07}, LiqVis = {101, -8.7946, 1113.8, -0.41314, 9.8767E-07, 2}, VapVis = {102, 6.6365E-07, 0.52158, 345.67, -1560.6, 0}, LiqK = {16, -0.0015458, -71.843, -1.1073, -0.0027831, 1.5512E-07}, VapK = {102, 0.012496, 0.37939, -0.8405, 811480, 0}, Racketparam = 0.271, UniquacR = 5.3936, UniquacQ = 4.312, ChaoSeadAF = 0.2429, ChaoSeadSP = 15490, ChaoSeadLV = 0.147921);
+end TransOneFourdimethylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneThreedimethylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneThreedimethylcyclohexane.mo
new file mode 100644
index 0000000..9ec7491
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneThreedimethylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TransOneThreedimethylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 278, name = "TransOneThreedimethylcyclohexane", CAS = "2207-03-6", Tc = 598.15, Pc = 2938430, Vc = 0.46, Cc = 0.272, Tb = 397.61, Tm = 183.07, TT = 183.05, TP = 0.0422148, MW = 112.213, LVB = 0.143768, AF = 0.2356, SP = 16040, DM = 0, SH = -1209000000.0, IGHF = -1.76565E+08, GEF = 3.63171E+07, AS = 376225, HFMP = 9865870, HOC = -4.86695E+09, LiqDen = {105, 0.51304, 0.23992, 598.15, 0.27441, 0}, VP = {101, 80.341, -7070.2, -8.6503, 0.0000047054, 2}, LiqCp = {16, 121960, 76.643, 8.8176, 0.0095602, -0.0000057205}, HOV = {106, 6.9382E+07, 2.1184, -4.4766, 4.6776, -1.8318}, VapCp = {16, 101700, -844.25, 13.931, -0.00056374, 1.5762E-07}, LiqVis = {101, -10.854, 1074.4, -0.03203, 4.561E-08, 2}, VapVis = {102, 0.0000023976, 0.3653, 664.66, 3836.7, 0}, LiqK = {16, -0.046977, 2.8897, -1.5646, -0.00046419, -0.0000013304}, VapK = {102, 0.016485, 0.34326, 5.6687, 894520, 0}, Racketparam = 0.272, UniquacR = 5.3936, UniquacQ = 4.312, ChaoSeadAF = 0.2356, ChaoSeadSP = 16040, ChaoSeadLV = 0.143768);
+end TransOneThreedimethylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneThreedimethylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneThreedimethylcyclopentane.mo
new file mode 100644
index 0000000..62794a9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneThreedimethylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TransOneThreedimethylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 270, name = "TransOneThreedimethylcyclopentane", CAS = "1759-58-6", Tc = 553, Pc = 3400000, Vc = 0.3633, Cc = 0.276, Tb = 363.9, Tm = 139.18, TT = 139.18, TP = 0.0000437759, MW = 98.188, LVB = 0.13264, AF = 0.253, SP = 15660, DM = 0, SH = -1209000000.0, IGHF = -1.336E+08, GEF = 4.1463E+07, AS = 366810, HFMP = 7398000, HOC = -4.279E+09, LiqDen = {105, 0.77915, 0.2805, 553, 0.30466, 0}, VP = {101, 72.714, -6038.9, -7.709, 0.0000063511, 2}, LiqCp = {16, 128140, 215.87, 5.2004, 0.02446, -0.000024789}, HOV = {106, 6.568557E+07, 1.547069, -1.429715, -0.00159084, 0.362451}, VapCp = {16, 86318, -831.43, 13.758, -0.00059782, 1.8276E-07}, LiqVis = {101, -11.152, 996.91, 0.036374, -1.1545E-07, 2}, VapVis = {102, 0.0000007023, 0.52532, 331.02, -5427.4, 0}, LiqK = {16, -0.034026, 3.551, -1.6156, -0.00049883, -0.0000017475}, VapK = {102, 0.0021472, 0.63073, 213.01, 445470, 0}, Racketparam = 0.276, UniquacR = 4.7192, UniquacQ = 3.772, ChaoSeadAF = 0.253, ChaoSeadSP = 15660, ChaoSeadLV = 0.13264);
+end TransOneThreedimethylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneTwodimethylcyclohexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneTwodimethylcyclohexane.mo
new file mode 100644
index 0000000..f546751
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneTwodimethylcyclohexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TransOneTwodimethylcyclohexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 276, name = "TransOneTwodimethylcyclohexane", CAS = "6876-23-9", Tc = 596.15, Pc = 2938430, Vc = 0.46, Cc = 0.273, Tb = 396.58, Tm = 184.99, TT = 184.99, TP = 0.0803872, MW = 112.213, LVB = 0.145347, AF = 0.2416, SP = 15780, DM = 0, SH = -1209000000.0, IGHF = -1.79996E+08, GEF = 3.44761E+07, AS = 370912, HFMP = 1.04223E+07, HOC = -4.86436E+09, LiqDen = {105, 0.54418, 0.25029, 596.15, 0.26582, 0}, VP = {101, 78.951, -6905.8, -8.4915, 0.0000050406, 2}, LiqCp = {16, 107760, 95.278, 8.9456, 0.0091345, -0.000005166}, HOV = {106, 6.3964E+07, 1.6946, -3.2086, 3.1663, -1.1947}, VapCp = {16, 97739, -799.79, 13.856, -0.00049041, 1.3436E-07}, LiqVis = {101, -9.8695, 1124.4, -0.19468, 4.6083E-07, 2}, VapVis = {102, 0.0000004616, 0.56409, 251.76, 9969.9, 0}, LiqK = {16, -0.096966, -4.6856, -1.2678, -0.00075424, -4.7962E-07}, VapK = {102, 0.014659, 0.3596, 28.311, 846250, 0}, Racketparam = 0.273, UniquacR = 5.3936, UniquacQ = 4.312, ChaoSeadAF = 0.2416, ChaoSeadSP = 15780, ChaoSeadLV = 0.145347);
+end TransOneTwodimethylcyclohexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneTwodimethylcyclopentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneTwodimethylcyclopentane.mo
new file mode 100644
index 0000000..e0b8fce
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransOneTwodimethylcyclopentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TransOneTwodimethylcyclopentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 268, name = "TransOneTwodimethylcyclopentane", CAS = "822-50-4", Tc = 553.15, Pc = 3445050, Vc = 0.36, Cc = 0.27, Tb = 365.02, Tm = 155.58, TT = 155.58, TP = 0.00329595, MW = 98.1861, LVB = 0.131474, AF = 0.2692, SP = 15760, DM = 0, SH = -1209000000.0, IGHF = -1.36566E+08, GEF = 3.84928E+07, AS = 366811, HFMP = 7167190, HOC = -4.27609E+09, LiqDen = {105, 0.77149, 0.27784, 553.15, 0.30964, 0}, VP = {101, 89.97, -6815.6, -10.323, 0.000008493, 2}, LiqCp = {16, -27570, -6.4733, 11.325, 0.0043522, -0.0000035776}, HOV = {106, 5.4143E+07, 0.72069, 0.072069, -0.93971, 0.57146}, VapCp = {16, 86316, -831.39, 13.757, -0.0005975, 1.8263E-07}, LiqVis = {101, -10.501, 979.94, -0.073247, 2.6464E-07, 2}, VapVis = {102, 0.0000015301, 0.42849, 479.07, 3.9541, 0}, LiqK = {16, -0.028286, 5.044, -1.6594, -0.00043322, -0.000001941}, VapK = {102, 0.0087025, 0.4463, 190.1, 689820, 0}, Racketparam = 0.27, UniquacR = 4.7192, UniquacQ = 3.772, ChaoSeadAF = 0.2692, ChaoSeadSP = 15760, ChaoSeadLV = 0.131474);
+end TransOneTwodimethylcyclopentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransTwobutene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransTwobutene.mo
new file mode 100644
index 0000000..6e6cac5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransTwobutene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TransTwobutene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 80, name = "TransTwobutene", CAS = "624-64-6", Tc = 428.6, Pc = 4100000, Vc = 0.2377, Cc = 0.276, Tb = 274.03, Tm = 167.62, TT = 167.62, TP = 74.5, MW = 56.108, LVB = 0.09365, AF = 0.218, SP = 14210, DM = 0, SH = -11000000.0, IGHF = -1.1E+07, GEF = 6.32E+07, AS = 296500, HFMP = 9757500, HOC = -2.53E+09, LiqDen = {105, 1.1523, 0.27235, 428.6, 0.28543, 0}, VP = {101, 56.602, -4026.7, -5.5178, 0.0000079176, 2}, LiqCp = {16, 98730, 549.96, 0.83133, 0.038607, -0.000044392}, HOV = {106, 3.3476E+07, 0.31355, 0.41478, -0.75555, 0.40695}, VapCp = {16, 60006, -649.72, 12.368, 0.00014661, -5.1566E-08}, LiqVis = {101, -16.05639, 833.2986, 0.849646, -2.292227E-06, 2}, VapVis = {102, 0.0000010493, 0.48674, 358.01, 137.53, 0}, LiqK = {16, 0.060004, 368.81, -7.3737, 0.025078, -0.000049526}, VapK = {102, 0.000078563, 1.0565, 14.753, 105810, 0}, Racketparam = 0.2721, UniquacR = 2.9189, UniquacQ = 2.563, ChaoSeadAF = 0.2138, ChaoSeadSP = 14207.7, ChaoSeadLV = 0.0893483);
+end TransTwobutene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransTwohexene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransTwohexene.mo
new file mode 100644
index 0000000..15af60f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransTwohexene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TransTwohexene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 258, name = "TransTwohexene", CAS = "4050-45-7", Tc = 509.8, Pc = 3168000, Vc = 0.345, Cc = 0.258, Tb = 341.02, Tm = 140.17, TT = 140.17, TP = 0.00179, MW = 84.1595, LVB = 0.125, AF = 0.288635, SP = 15250, DM = 0, SH = -1209000000.0, IGHF = -5.381E+07, GEF = 7.675E+07, AS = 380600, HFMP = 8255030, HOC = -3.72648E+09, LiqDen = {105, 0.7854, 0.271, 509.8, 0.28571, 0}, VP = {101, 102.7613, -6858.249, -12.46469, 0.0000134849, 2}, LiqCp = {16, 145330, 591.61, 0.45085, 0.040176, -0.000043449}, HOV = {106, 4.402196E+07, 0.563356, -0.497314, 0.306975, 0.0161359}, VapCp = {16, 96839, -758.81, 13.112, -0.00018911, 4.7057E-08}, LiqVis = {101, -11.296, 798.85, 0.074688, -2.5765E-07, 2}, VapVis = {102, 3.5985E-08, 0.91455, -9.2013, 1687.6, 0}, LiqK = {16, -0.091076, -0.14352, -1.1963, -0.00093801, -0.0000007123}, VapK = {102, 0.000094853, 1.0175, 2.8366, 154410, 0}, Racketparam = 0.258, UniquacR = 4.2677, UniquacQ = 3.643, ChaoSeadAF = 0.288635, ChaoSeadSP = 15250, ChaoSeadLV = 0.125);
+end TransTwohexene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransTwopentene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransTwopentene.mo
new file mode 100644
index 0000000..1c0284d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TransTwopentene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TransTwopentene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 110, name = "TransTwopentene", CAS = "646-04-8", Tc = 474.2, Pc = 3660000, Vc = 0.293, Cc = 0.272, Tb = 309.49, Tm = 132.89, TT = 132.89, TP = 0.00574, MW = 70.1329, LVB = 0.1091, AF = 0.248372, SP = 14970, DM = 0, SH = -27600000.0, IGHF = -3.11E+07, GEF = 6.98E+07, AS = 343100, HFMP = 8351700, HOC = -3.119E+09, LiqDen = {105, 0.9122, 0.26869, 474.2, 0.28253, 0}, VP = {101, 77.717, -5422.6, -8.6403, 0.0000092035, 2}, LiqCp = {16, 117170, 204.39, 5.1039, 0.022516, -0.00002152}, HOV = {106, 4.3712E+07, 0.84137, -0.81266, 0.47134, -0.094225}, VapCp = {16, 79715, -780.23, 12.979, -0.00024552, 0.0000000696}, LiqVis = {101, -10.52, 657.15, -0.02693, 1.6882E-07, 2}, VapVis = {102, 1.2614E-07, 0.75299, 74.21, 1685.7, 0}, LiqK = {16, -0.074338, -10.004, -1.1218, -0.0016085, -2.2796E-07}, VapK = {102, 0.000026669, 1.1894, -123.11, 111540, 0}, Racketparam = 0.268765, UniquacR = 3.5933, UniquacQ = 3.103, ChaoSeadAF = 0.209, ChaoSeadSP = 14420.78, ChaoSeadLV = 0.109);
+end TransTwopentene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Transdecahydronaphthalene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Transdecahydronaphthalene.mo
new file mode 100644
index 0000000..cbdab71
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Transdecahydronaphthalene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Transdecahydronaphthalene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 191, name = "Transdecahydronaphthalene", CAS = "493-02-7", Tc = 687.05, Pc = 2837100, Vc = 0.48, Cc = 0.238, Tb = 460.46, Tm = 242.77, TT = 242.79, TP = 1.14983, MW = 138.253, LVB = 0.159325, AF = 0.253611, SP = 17042.7, DM = 0, SH = -168070000.0, IGHF = -1.8217E+08, GEF = 7.355E+07, AS = 374550, HFMP = 1.441E+07, HOC = -5.88088E+09, LiqDen = {105, 0.5599, 0.26991, 687.05, 0.2952, 0}, VP = {101, 112.0059, -9619.314, -13.21808, 6.974439E-06, 2}, LiqCp = {16, 110470, -81.629, 10.313, 0.0068781, -0.0000045952}, HOV = {106, 7.646155E+07, 0.918445, 0.395142, -2.202434, 1.398354}, VapCp = {16, 81351, -707.34, 13.793, -0.00018944, 2.0365E-08}, LiqVis = {101, -47.21, 3037.9, 5.4682, -0.0000042842, 2}, VapVis = {102, 2.7061E-07, 0.60485, 153.09, 81.09, 0}, LiqK = {16, 0.087771, 45.415, -2.1613, -0.0061939, 0.0000022159}, VapK = {102, -13.928, 0.65448, -2837300, -2.043E+09, 0}, Racketparam = 0.268306, UniquacR = 6.289, UniquacQ = 4.776, ChaoSeadAF = 0.253611, ChaoSeadSP = 17042.7, ChaoSeadLV = 0.159325);
+end Transdecahydronaphthalene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trichloroacetaldehyde.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trichloroacetaldehyde.mo
new file mode 100644
index 0000000..0ea0c30
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trichloroacetaldehyde.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Trichloroacetaldehyde
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 36, name = "Trichloroacetaldehyde", CAS = "75-87-6", Tc = 565, Pc = 4410000, Vc = 0.288, Cc = 0.27, Tb = 370.85, Tm = 216, TT = 216, TP = 10.133, MW = 147.388, LVB = 0.0983111, AF = 0.332334, SP = 19150, DM = 6.54E-30, SH = -22970000.0, IGHF = -1.97E+08, GEF = -1.48E+08, AS = 348000, HFMP = 0, HOC = -6.72E+08, LiqDen = {105, 0.92352, 0.2658, 565, 0.27915, 0}, VP = {101, 104.1738, -7649.009, -12.42192, 0.0000106892, 2}, LiqCp = {16, 141170, -5.956, 6.555, 0.014383, -0.000012896}, HOV = {106, 6.2611E+07, 1.7765, -3.981, 4.442, -1.8138}, VapCp = {16, 75534, -497.17, 11.711, -0.00021306, 5.7567E-08}, LiqVis = {101, -15.452, 1500.4, 0.62119, 1.0267E-07, 2}, VapVis = {102, 1.9624E-07, 0.76217, 181.59, -7289.4, 0}, LiqK = {16, -0.0058147, -49.103, -1.1431, -0.0024848, -2.7456E-08}, VapK = {102, 0.00037396, 0.73494, 540.31, 2896.6, 0}, Racketparam = 0.261398, UniquacR = 3.638102, UniquacQ = 3.132, ChaoSeadAF = 0.332283, ChaoSeadSP = 19153.3, ChaoSeadLV = 0.0983111);
+end Trichloroacetaldehyde;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trichloroacetylchloride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trichloroacetylchloride.mo
new file mode 100644
index 0000000..78b5289
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trichloroacetylchloride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Trichloroacetylchloride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 9, name = "Trichloroacetylchloride", CAS = "76-02-8", Tc = 604, Pc = 4320000, Vc = 0.3408, Cc = 0.293, Tb = 391.15, Tm = 216.2, TT = 216.2, TP = 5.18177, MW = 181.833, LVB = 0.112961, AF = 0.282386, SP = 18010, DM = 4.0E-30, SH = -218900000.0, IGHF = -2.398E+08, GEF = -1.8E+08, AS = 360000, HFMP = 9040000, HOC = -5.062E+08, LiqDen = {105, 0.76674, 0.26122, 604, 0.28678, 0}, VP = {101, 174.9617, -10592.68, -23.45621, 0.0000238342, 2}, LiqCp = {16, 177260, -1933.8, 48.92, -0.20004, 0.00024097}, HOV = {106, 1.449329E+08, 7.45895, -20.20511, 23.04844, -9.793955}, VapCp = {16, 91870, -696.64, 12.555, -0.0015691, 6.1156E-07}, LiqVis = {101, -12.095, 1867, -0.00010079, 1.1286E-09, 2}, VapVis = {102, 0.0000001265, 0.7796, 98.46, 0.0024692, 0}, LiqK = {16, 0.043702, -153.3, -0.62199, -0.0058162, 0.0000023649}, VapK = {102, 0.0006898, 0.5929, 623.5, 0.0039481, 0}, Racketparam = 0, UniquacR = 4.177323, UniquacQ = 3.544, ChaoSeadAF = 0.347734, ChaoSeadSP = 18501.6, ChaoSeadLV = 0.112737);
+end Trichloroacetylchloride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trichloroethylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trichloroethylene.mo
new file mode 100644
index 0000000..79b096d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trichloroethylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Trichloroethylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 34, name = "Trichloroethylene", CAS = "79-01-6", Tc = 571, Pc = 4910000, Vc = 0.256, Cc = 0.265, Tb = 360.1, Tm = 188.4, TT = 188.4, TP = 1.97868, MW = 131.388, LVB = 0.0901371, AF = 0.21662, SP = 18800, DM = 2.57E-30, SH = -22970000.0, IGHF = -9620000, GEF = 1.606E+07, AS = 325090, HFMP = 0, HOC = -8.6411E+08, LiqDen = {105, 1.0632, 0.27217, 571, 0.2986, 0}, VP = {101, 46.56173, -5021.974, -3.675161, 4.330407E-06, 2}, LiqCp = {16, 111110, 1042.6, -3.1013, 0.043029, -0.000040867}, HOV = {106, 4.571591E+07, 0.581727, -0.122707, -0.842037, 0.831632}, VapCp = {16, 56305, -500.68, 11.893, -0.00053611, 1.6998E-07}, LiqVis = {101, -16.947, 1157.4, 0.95533, 0.0000012051, 2}, VapVis = {102, 1.5903E-07, 0.76088, 56.852, 7589.2, 0}, LiqK = {16, 0.079767, 522.46, -9.4979, 0.032021, -0.00005769}, VapK = {102, 0.00050539, 0.6741, 584.61, 3177.4, 0}, Racketparam = 0, UniquacR = 3.31, UniquacQ = 2.86, ChaoSeadAF = 0.2456, ChaoSeadSP = 18796.4, ChaoSeadLV = 0.0901371);
+end Trichloroethylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Triethanolamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Triethanolamine.mo
new file mode 100644
index 0000000..09e85ce
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Triethanolamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Triethanolamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 369, name = "Triethanolamine", CAS = "102-71-6", Tc = 787, Pc = 3590000, Vc = 0.472, Cc = 0.202, Tb = 613, Tm = 294.35, TT = 294.35, TP = 0.000287009, MW = 149.188, LVB = 0.132992, AF = 1.28411, SP = 27430, DM = 3.6E-30, SH = -22600000.0, IGHF = -5.54E+08, GEF = -2.994E+08, AS = 538000, HFMP = 2.7191E+07, HOC = -3.5025E+09, LiqDen = {105, 0.028938, 0.058014, 787, 0.099632, 0}, VP = {101, 283.76, -24672, -37.048, 0.000015689, 2}, LiqCp = {16, 285560, 313.35, 6.351, 0.016374, -0.000012842}, HOV = {106, 1.354875E+08, 0.343894, 0.961738, -1.466285, 0.442687}, VapCp = {16, 114870, -616.04, 13.509, -0.00048074, 2.2464E-07}, LiqVis = {101, 33.605, 4399.7, -8.9203, 0.000021038, 2}, VapVis = {102, 3.0013E-08, 0.95199, 45.139, -3355.9, 0}, LiqK = {16, -0.76863, 26.11, -0.3374, 0.0010847, -0.0000011937}, VapK = {102, 0.043843, 0.38395, 6681.4, 1202500, 0}, Racketparam = 0.202, UniquacR = 7.3317, UniquacQ = 6.932, ChaoSeadAF = 1.28411, ChaoSeadSP = 27430, ChaoSeadLV = 0.132992);
+end Triethanolamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Triethylamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Triethylamine.mo
new file mode 100644
index 0000000..0d349c6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Triethylamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Triethylamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 139, name = "Triethylamine", CAS = "121-44-8", Tc = 535, Pc = 3000000, Vc = 0.39, Cc = 0.263, Tb = 362.9, Tm = 158.45, TT = 158.45, TP = 0.0106462, MW = 101.192, LVB = 0.13996, AF = 0.316193, SP = 15170, DM = 2.2E-30, SH = -168070000.0, IGHF = -9.58E+07, GEF = 1.141E+08, AS = 405400, HFMP = 8520000, HOC = -4.0405E+09, LiqDen = {105, 0.74443, 0.28147, 535, 0.29639, 0}, VP = {101, 109.5632, -7670.939, -13.23524, 8.526035E-06, 2}, LiqCp = {16, -68176, -83.963, 12.887, -0.00053012, 0.0000014554}, HOV = {106, 5.6361E+07, 1.8179, -4.3508, 5.0206, -2.0828}, VapCp = {16, 118700, -798.83, 13.439, -0.00026576, 5.0253E-08}, LiqVis = {101, -8.1405, 722.62, -0.37234, -0.0000014417, 2}, VapVis = {102, 3.6298E-07, 0.63337, 296.37, -2057.9, 0}, LiqK = {16, -0.073124, -11.318, -1.1721, -0.001404, -1.7908E-07}, VapK = {102, 0.00013191, 0.98598, 87.622, 150050, 0}, Racketparam = 0.262814, UniquacR = 5.01, UniquacQ = 4.26, ChaoSeadAF = 0.316157, ChaoSeadSP = 15176.2, ChaoSeadLV = 0.139672);
+end Triethylamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Triethyleneglycol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Triethyleneglycol.mo
new file mode 100644
index 0000000..a65879e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Triethyleneglycol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Triethyleneglycol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 138, name = "Triethyleneglycol", CAS = "112-27-6", Tc = 769.5, Pc = 3320000, Vc = 0.443, Cc = 0.23, Tb = 561.5, Tm = 265.95, TT = 265.95, TP = 0.000327262, MW = 150.173, LVB = 0.134127, AF = 0.755952, SP = 25710, DM = 9.97E-30, SH = -168070000.0, IGHF = -7.251E+08, GEF = -4.86E+08, AS = 556500, HFMP = 1.82E+07, HOC = -3.2498E+09, LiqDen = {105, 0.60697, 0.26444, 769.5, 0.24805, 0}, VP = {101, -148.0973, -1446.895, 26.95817, -0.0000266538, 2}, LiqCp = {16, 234210, -89.741, 10.328, 0.0058089, -0.0000030565}, HOV = {106, 1.392895E+08, 1.422819, -1.625802, 1.207667, -0.563316}, VapCp = {16, 88442, -417.2, 12.845, 0.00037163, -1.3999E-07}, LiqVis = {101, -354.9911, 16471.68, 54.55389, -0.0481353, 1}, VapVis = {102, 8.2508E-08, 0.8077, 134.01, -6653.4, 0}, LiqK = {16, -0.089806, 0.43077, -1.6802, 0.0024003, -0.0000033612}, VapK = {102, 0.0000048035, 1.4025, 164.43, 15114, 0}, Racketparam = 0.224225, UniquacR = 6.5342, UniquacQ = 6.12, ChaoSeadAF = 0.758714, ChaoSeadSP = 23437.3, ChaoSeadLV = 0.134187);
+end Triethyleneglycol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trimethylamine.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trimethylamine.mo
new file mode 100644
index 0000000..54355e2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Trimethylamine.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Trimethylamine
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 70, name = "Trimethylamine", CAS = "75-50-3", Tc = 433.3, Pc = 4075000, Vc = 0.254, Cc = 0.266, Tb = 276.02, Tm = 156.08, TT = 156.08, TP = 9.92058, MW = 59.111, LVB = 0.09428, AF = 0.206243, SP = 14360, DM = 2.04E-30, SH = -24310000.0, IGHF = -2.431E+07, GEF = 9.899E+07, AS = 287000, HFMP = 6544000, HOC = -2.2449E+09, LiqDen = {105, 0.67928, 0.21649, 433.3, 0.20925, 0}, VP = {101, 110.254, -5770.536, -14.1719, 0.0000238614, 2}, LiqCp = {16, 112140, 1253.3, -12.905, 0.10424, -0.00013798}, HOV = {106, 4.743116E+07, 0.966273, 0.752593, -2.762744, 1.513109}, VapCp = {16, 65203, -794.87, 12.953, -0.00031634, 6.4426E-08}, LiqVis = {101, 9.9961, -126.46, -3.1956, -6.7828E-08, 2}, VapVis = {102, 0.000001161, 0.48519, 364.43, 10928, 0}, LiqK = {16, -0.0043132, -14.875, -1.2529, -0.0019969, -0.0000017575}, VapK = {102, 0.00027205, 0.90104, 140.75, 139110, 0}, Racketparam = 0, UniquacR = 2.99, UniquacQ = 2.64, ChaoSeadAF = 0.205, ChaoSeadSP = 15311.1, ChaoSeadLV = 0.0902163);
+end Trimethylamine;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Two6dinitrotoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Two6dinitrotoluene.mo
new file mode 100644
index 0000000..8241f6f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Two6dinitrotoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Two6dinitrotoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 388, name = "Two6dinitrotoluene", CAS = "606-20-2", Tc = 780, Pc = 3400000, Vc = 0.487, Cc = 0.242, Tb = 553, Tm = 339, TT = 337.85, TP = 24.9565, MW = 182.134, LVB = 0.136568, AF = 0.714206, SP = 20760, DM = 9.37E-30, SH = -22600000.0, IGHF = 2.86E+07, GEF = 2.32E+08, AS = 414000, HFMP = 2.12E+07, HOC = -3.429E+09, LiqDen = {105, 0.27332, 0.17415, 780, 0.22386, 0}, VP = {101, 115.7657, -12082.2, -13.31782, 5.09858E-06, 2}, LiqCp = {16, 163490, 785.69, 5.0684, 0.014589, -0.0000070833}, HOV = {106, 1.041715E+08, 1.247529, 0.0309575, -2.851863, 1.938855}, VapCp = {16, 94512, -582.56, 13.27, -0.00026587, 5.3735E-08}, LiqVis = {101, -70.386, 5310.9, 8.6262, -0.0000081126, 2}, VapVis = {102, 5.9592E-08, 0.88167, 135.78, -11605, 0}, LiqK = {16, -0.039901, -99.466, -0.76681, -0.0019329, 1.8512E-07}, VapK = {102, 0.00015932, 0.92355, 690.15, 19720, 0}, Racketparam = 0.242, UniquacR = 5.7, UniquacQ = 4.376, ChaoSeadAF = 0.714206, ChaoSeadSP = 20760, ChaoSeadLV = 0.136568);
+end Two6dinitrotoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFivedimethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFivedimethylhexane.mo
new file mode 100644
index 0000000..d986f6c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFivedimethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoFivedimethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 233, name = "TwoFivedimethylhexane", CAS = "592-13-2", Tc = 550, Pc = 2490000, Vc = 0.482, Cc = 0.262, Tb = 382.26, Tm = 182, TT = 182, TP = 0.0683715, MW = 114.231, LVB = 0.1657, AF = 0.357, SP = 14740, DM = 0, SH = -1209000000.0, IGHF = -2.22631E+08, GEF = 1.046E+07, AS = 442330, HFMP = 1.29537E+07, HOC = -5.06398E+09, LiqDen = {105, 0.49779, 0.2525, 550, 0.26429, 0}, VP = {101, 87.65473, -7122.285, -9.843559, 7.04047E-06, 2}, LiqCp = {16, -51796, -110.09, 12.759, 0.00089408, -0.0000004354}, HOV = {106, 6.2389E+07, 1.0017, -0.72582, -0.024698, 0.19155}, VapCp = {16, 66542, -399.08, 12.9, 0.00049831, -1.6255E-07}, LiqVis = {101, -2.9399, 836.45, -1.3966, 0.00000447, 2}, VapVis = {102, 8.3872E-07, 0.47833, 344.26, 27.957, 0}, LiqK = {16, -0.074336, 3.6543, -1.5091, -0.00039812, -0.0000013255}, VapK = {102, 0.000029331, 1.1695, -138.07, 145330, 0}, Racketparam = 0.262, UniquacR = 5.847, UniquacQ = 4.928, ChaoSeadAF = 0.357, ChaoSeadSP = 14740, ChaoSeadLV = 0.1657);
+end TwoFivedimethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFivedinitrotoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFivedinitrotoluene.mo
new file mode 100644
index 0000000..7f36c18
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFivedinitrotoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoFivedinitrotoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 390, name = "TwoFivedinitrotoluene", CAS = "619-15-8", Tc = 814, Pc = 3400000, Vc = 0.487, Cc = 0.237, Tb = 590, Tm = 325.65, TT = 323.48, TP = 3.04164, MW = 182.134, LVB = 0.135666, AF = 0.712285, SP = 21390, DM = 1.93E-30, SH = -22600000.0, IGHF = 2.71E+07, GEF = 2.36E+08, AS = 414000, HFMP = 2.03E+07, HOC = -3.446E+09, LiqDen = {105, 0.50237, 0.23693, 814, 0.28571, 0}, VP = {101, 90.89499, -12036.13, -9.395524, 2.853055E-06, 2}, LiqCp = {16, 152220, 711.2, 5.8598, 0.012789, -0.0000058246}, HOV = {106, 5.5817E+07, -1.8578, 6.6656, -8.4526, 3.8136}, VapCp = {16, 94512, -582.56, 13.27, -0.00026587, 5.3735E-08}, LiqVis = {101, -10.391, 2604.7, -0.5024, 5.1688E-07, 2}, VapVis = {102, 3.8924E-08, 0.93015, 82.835, -8099.3, 0}, LiqK = {16, -0.078898, -29.065, -1.0796, -0.00084649, -2.5074E-07}, VapK = {102, 0.0001568, 0.92031, 704.11, 20197, 0}, Racketparam = 0.237, UniquacR = 5.7, UniquacQ = 4.376, ChaoSeadAF = 0.712285, ChaoSeadSP = 21390, ChaoSeadLV = 0.135666);
+end TwoFivedinitrotoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFour6trinitrotoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFour6trinitrotoluene.mo
new file mode 100644
index 0000000..3c75510
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFour6trinitrotoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoFour6trinitrotoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 392, name = "TwoFour6trinitrotoluene", CAS = "118-96-7", Tc = 795, Pc = 3040000, Vc = 0.48, Cc = 0.253, Tb = 573, Tm = 355, TT = 354, TP = 0.936248, MW = 227.131, LVB = 0.154989, AF = 0.897249, SP = 23070, DM = 3.87E-30, SH = -22600000.0, IGHF = 1.64E+07, GEF = 2.844E+08, AS = 460700, HFMP = 2.12E+07, HOC = -3.2919E+09, LiqDen = {105, 0.99663, 0.34261, 803.06, 0.50647, 0}, VP = {101, 245.81, -20425, -32.225, 0.00001503, 2}, LiqCp = {16, 188750, 750.94, 4.5661, 0.019107, -0.00001348}, HOV = {106, 2.111008E+07, -12.33056, 37.27643, -41.67226, 16.622}, VapCp = {16, 209680, -1410.9, 14.902, -0.0017672, 4.5403E-07}, LiqVis = {101, 92.002, -1238.6, -16.127, 0.000013297, 2}, VapVis = {102, 5.1205E-08, 0.89283, 134.66, -13583, 0}, LiqK = {16, -0.10196, -488.31, 0.35873, -0.0039133, 0.0000039064}, VapK = {102, 0.00015986, 0.89621, 647.63, 36973, 0}, Racketparam = 0.253, UniquacR = 6.5886, UniquacQ = 5.08, ChaoSeadAF = 0.897249, ChaoSeadSP = 23070, ChaoSeadLV = 0.154989);
+end TwoFour6trinitrotoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourFourtrimethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourFourtrimethylhexane.mo
new file mode 100644
index 0000000..b09ee4a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourFourtrimethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoFourFourtrimethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 240, name = "TwoFourFourtrimethylhexane", CAS = "16747-30-1", Tc = 583, Pc = 2500000, Vc = 0.509, Cc = 0.26, Tb = 403.81, Tm = 159.78, TT = 159.78, TP = 0.000306827, MW = 128.255, LVB = 0.178125, AF = 0.352203, SP = 14590, DM = 0, SH = -1209000000.0, IGHF = -2.403E+08, GEF = 2.5E+07, AS = 468400, HFMP = 1.13E+07, HOC = -5.68E+09, LiqDen = {105, 0.098546, 0.11862, 583, 0.15161, 0}, VP = {101, 143.1127, -9541.532, -18.4559, 0.0000171318, 2}, LiqCp = {16, 36795, -79.414, 11.689, 0.0041098, -0.0000031494}, HOV = {106, 5.5551E+07, 0.63316, -0.60532, 0.59593, -0.24062}, VapCp = {16, 84170, -452.22, 13.167, 0.00035197, -1.1076E-07}, LiqVis = {101, -6.9748, 1194.1, -0.75025, -2.9452E-08, 2}, VapVis = {102, 0.0000003308, 0.60466, 252.52, -7535.6, 0}, LiqK = {16, -0.061213, 3.6115, -1.5687, -0.00048198, -0.000001134}, VapK = {102, 0.000028131, 1.1825, -103.57, 142450, 0}, Racketparam = 0.26, UniquacR = 6.5207, UniquacQ = 5.548, ChaoSeadAF = 0.352203, ChaoSeadSP = 14590, ChaoSeadLV = 0.178125);
+end TwoFourFourtrimethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourdimethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourdimethylhexane.mo
new file mode 100644
index 0000000..b5fdf78
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourdimethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoFourdimethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 232, name = "TwoFourdimethylhexane", CAS = "589-43-5", Tc = 553.5, Pc = 2560000, Vc = 0.472, Cc = 0.263, Tb = 382.58, Tm = 0, TT = 0, TP = 0, MW = 114.231, LVB = 0.16408, AF = 0.344, SP = 14650, DM = 0, SH = -1209000000.0, IGHF = -2.19409E+08, GEF = 1.17152E+07, AS = 447600, HFMP = 0, HOC = -5.06733E+09, LiqDen = {105, 0.49412, 0.25086, 553.5, 0.26728, 0}, VP = {101, 110.28, -8135.7, -13.268, 0.0000097316, 2}, LiqCp = {16, -373730, 38.479, 12.478, 0.0035274, -0.0000034858}, HOV = {106, 5.4006E+07, 0.43973, 0.30966, -0.70429, 0.35515}, VapCp = {16, 68028, -390.94, 12.9, 0.00049032, -1.6117E-07}, LiqVis = {101, -12.459, 1208.2, 0.16649, -2.1296E-07, 2}, VapVis = {102, 0.0000013835, 0.41886, 453.95, -1216.3, 0}, LiqK = {16, -0.012272, -146.3, -0.49024, -0.0043592, 0.0000013669}, VapK = {102, 0.000028277, 1.1747, -150.01, 140960, 0}, Racketparam = 0.263, UniquacR = 5.847, UniquacQ = 4.928, ChaoSeadAF = 0.344, ChaoSeadSP = 14650, ChaoSeadLV = 0.16408);
+end TwoFourdimethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourdimethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourdimethylpentane.mo
new file mode 100644
index 0000000..cf6cb1d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourdimethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoFourdimethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 223, name = "TwoFourdimethylpentane", CAS = "108-08-7", Tc = 519.7, Pc = 2740000, Vc = 0.4175, Cc = 0.265, Tb = 353.62, Tm = 153.908, TT = 153.912, TP = 0.0066994, MW = 100.204, LVB = 0.14995, AF = 0.304, SP = 14290, DM = 0, SH = -1209000000.0, IGHF = -2.0167E+08, GEF = 3310000, AS = 397000, HFMP = 6845000, HOC = -4.454E+09, LiqDen = {105, 0.49944, 0.24101, 519.81, 0.23086, 0}, VP = {101, 86.23433, -6498.287, -9.772628, 8.133363E-06, 2}, LiqCp = {16, 90283, 22.117, 10.293, 0.0058192, -0.0000033296}, HOV = {106, 5.636917E+07, 1.083678, -0.919235, 0.1428, 0.13605}, VapCp = {16, 66100, -427.67, 12.876, 0.00036594, -1.1245E-07}, LiqVis = {101, -15.849, 1204.5, 0.70216, -0.0000021284, 2}, VapVis = {102, 1.8633E-07, 0.67603, 100.62, -68.047, 0}, LiqK = {16, -0.10048, 3.798, -1.3824, -0.00040413, -0.0000011783}, VapK = {102, 0.0002569, 0.9033, 147.33, 182490, 0}, Racketparam = 0.265, UniquacR = 5.1726, UniquacQ = 4.388, ChaoSeadAF = 0.304, ChaoSeadSP = 14290, ChaoSeadLV = 0.14995);
+end TwoFourdimethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourdinitrotoluene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourdinitrotoluene.mo
new file mode 100644
index 0000000..e8a45d3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoFourdinitrotoluene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoFourdinitrotoluene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 387, name = "TwoFourdinitrotoluene", CAS = "121-14-2", Tc = 814, Pc = 3400000, Vc = 0.487, Cc = 0.245, Tb = 553, Tm = 333, TT = 342.65, TP = 7.8719, MW = 182.134, LVB = 0.137448, AF = 0.712571, SP = 21470, DM = 1.44E-29, SH = -22600000.0, IGHF = 3.36E+07, GEF = 2.18E+08, AS = 414000, HFMP = 2.0126E+07, HOC = -3.416E+09, LiqDen = {105, 0.5108, 0.24037, 814, 0.26806, 0}, VP = {101, 128.9329, -13393.44, -15.15736, 5.597038E-06, 2}, LiqCp = {16, 88958, 1324.4, 2.7528, 0.019721, -0.000011079}, HOV = {106, 1.2919E+08, 1.3248, 1.0872, -4.8737, 2.858}, VapCp = {16, 94512, -582.56, 13.27, -0.00026587, 5.3735E-08}, LiqVis = {101, -41.408, 3947.7, 4.2203, -0.0000035178, 2}, VapVis = {102, 1.9809E-08, 1.0159, 22.316, -3670.3, 0}, LiqK = {16, -0.057001, -67.01, -0.90194, -0.0013614, -3.0209E-08}, VapK = {102, 0.00011852, 0.95914, 734.05, 13896, 0}, Racketparam = 0.245, UniquacR = 5.7, UniquacQ = 4.376, ChaoSeadAF = 0.712571, ChaoSeadSP = 21470, ChaoSeadLV = 0.137448);
+end TwoFourdinitrotoluene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoMethoxyTwoMethylHeptane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoMethoxyTwoMethylHeptane.mo
new file mode 100644
index 0000000..6e628ac
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoMethoxyTwoMethylHeptane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoMethoxyTwoMethylHeptane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 421, name = "TwoMethoxyTwoMethylHeptane", CAS = "76589-16-7", Tc = 618.2025, Pc = 2357849, Vc = 0.53093, Cc = 0.24355, Tb = 446.7301, Tm = 0, TT = 0, TP = 0, MW = 144.2564, LVB = 0.18511, AF = 0.433286, SP = 14871.82, DM = 0, SH = -61100000.0, IGHF = -9790565, GEF = -6.029269, AS = 1629362, HFMP = 0, HOC = -5.95423E+09, LiqDen = {0, 0, 0, 0, 0, 0}, VP = {200, -8.2705, 2.1937, -3.6992, -3.7256, 2357800}, LiqCp = {0, 0, 0, 0, 0, 0}, HOV = {106, 6.6655E+07, 0.38, 0, 0, 0}, VapCp = {4, -4265.999, 921.48, -0.5266, 0.000113, 0}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {0, 0, 0, 0, 0, 0}, LiqK = {16, 0, 0, 0, 0, 0}, VapK = {0, 0, 0, 0, 0, 0}, Racketparam = 0.24355, UniquacR = 6.7654, UniquacQ = 5.792, ChaoSeadAF = 0.433286, ChaoSeadSP = 14871.82, ChaoSeadLV = 0.18511);
+end TwoMethoxyTwoMethylHeptane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoMethylTwoHeptanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoMethylTwoHeptanol.mo
new file mode 100644
index 0000000..c31a10e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoMethylTwoHeptanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoMethylTwoHeptanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 422, name = "TwoMethylTwoHeptanol", CAS = "625-25-2", Tc = 636.6534, Pc = 2716180, Vc = 0.48244, Cc = 0.247551, Tb = 467.6976, Tm = 0, TT = 0, TP = 0, MW = 130.2296, LVB = 0.15788, AF = 0.723562, SP = 17397.3, DM = 0, SH = -61100000.0, IGHF = -1.238045, GEF = -1.233886, AS = 1322185, HFMP = 0, HOC = -5.204435, LiqDen = {0, 0, 0, 0, 0, 0}, VP = {200, -10.016, 3.415, -6.8543, -4.7824, 2716200}, LiqCp = {0, 0, 0, 0, 0, 0}, HOV = {106, 7.9114E+07, 0.38, 0, 0, 0}, VapCp = {4, -23566, 923.66, -0.6136, 0.0001657, 0}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {0, 0, 0, 0, 0, 0}, LiqK = {16, 0, 0, 0, 0, 0}, VapK = {0, 0, 0, 0, 0, 0}, Racketparam = 0.247551, UniquacR = 6.6204, UniquacQ = 5.904, ChaoSeadAF = 0.723562, ChaoSeadSP = 17397.3, ChaoSeadLV = 0.15788);
+end TwoMethylTwoHeptanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreeFourtrimethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreeFourtrimethylpentane.mo
new file mode 100644
index 0000000..4f008d3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreeFourtrimethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoThreeFourtrimethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 159, name = "TwoThreeFourtrimethylpentane", CAS = "565-75-3", Tc = 566.3, Pc = 2730000, Vc = 0.4562, Cc = 0.267, Tb = 386.62, Tm = 163.95, TT = 163.95, TP = 0.00303425, MW = 114.231, LVB = 0.15974, AF = 0.316, SP = 14940, DM = 0, SH = -168070000.0, IGHF = -2.1732E+08, GEF = 1.9E+07, AS = 428400, HFMP = 9267560, HOC = -5.06943E+09, LiqDen = {105, 0.44061, 0.23657, 566.41, 0.23009, 0}, VP = {101, 83.41936, -6957.084, -9.207327, 0.0000063783, 2}, LiqCp = {16, 108880, -13.14, 10.55, 0.00536, -0.0000028819}, HOV = {106, 5.6943E+07, 0.86512, -0.77048, 0.30586, 0.021601}, VapCp = {16, 26624, -291.65, 12.829, 0.00059553, -0.0000001821}, LiqVis = {101, -6.3467, 935.74, -0.76144, 7.5545E-07, 2}, VapVis = {102, 6.7868E-07, 0.51422, 325.4, 22.347, 0}, LiqK = {16, -0.048086, 3.7835, -1.6094, -0.00050636, -0.0000013704}, VapK = {102, 0.000017892, 1.241, -169.67, 132780, 0}, Racketparam = 0, UniquacR = 5.85, UniquacQ = 4.94, ChaoSeadAF = 0.316137, ChaoSeadSP = 14934.3, ChaoSeadLV = 0.159513);
+end TwoThreeFourtrimethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreeThreeFourtetramethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreeThreeFourtetramethylpentane.mo
new file mode 100644
index 0000000..4eddcda
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreeThreeFourtetramethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoThreeThreeFourtetramethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 245, name = "TwoThreeThreeFourtetramethylpentane", CAS = "16747-38-9", Tc = 607.1, Pc = 2670000, Vc = 0.493, Cc = 0.261, Tb = 414.71, Tm = 171.05, TT = 171.03, TP = 0.00089642, MW = 128.258, LVB = 0.17076, AF = 0.313, SP = 15110, DM = 0, SH = -1209000000.0, IGHF = -2.361E+08, GEF = 3.8E+07, AS = 436900, HFMP = 9000000, HOC = -5.6822E+09, LiqDen = {105, 0.49299, 0.25927, 607.51, 0.27003, 0}, VP = {101, 79.047, -7201.2, -8.4677, 0.0000051332, 2}, LiqCp = {16, 61477, 20.611, 11.082, 0.0041652, -0.0000014763}, HOV = {106, 5.5207E+07, 0.63465, -0.82041, 1.0175, -0.45604}, VapCp = {16, 50811, -338.13, 12.991, 0.00056259, -1.7284E-07}, LiqVis = {101, -7.4098, 1217, -0.67198, -2.7904E-07, 2}, VapVis = {102, 3.7299E-07, 0.59636, 289.93, -9056.4, 0}, LiqK = {16, -0.058699, 3.5637, -1.5648, -0.000479, -0.0000010469}, VapK = {102, 0.000035577, 1.1602, -50.424, 142790, 0}, Racketparam = 0.261, UniquacR = 6.5199, UniquacQ = 5.544, ChaoSeadAF = 0.313, ChaoSeadSP = 15110, ChaoSeadLV = 0.17076);
+end TwoThreeThreeFourtetramethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreeThreetrimethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreeThreetrimethylpentane.mo
new file mode 100644
index 0000000..e19b6ce
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreeThreetrimethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoThreeThreetrimethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 158, name = "TwoThreeThreetrimethylpentane", CAS = "560-21-4", Tc = 573.5, Pc = 2820000, Vc = 0.4551, Cc = 0.269, Tb = 387.92, Tm = 172.22, TT = 172.22, TP = 0.0168197, MW = 114.231, LVB = 0.15815, AF = 0.291, SP = 14920, DM = 0, SH = -168070000.0, IGHF = -2.1845E+08, GEF = 1.828E+07, AS = 427020, HFMP = 857720, HOC = -5.06876E+09, LiqDen = {105, 0.56592, 0.26622, 573.5, 0.26429, 0}, VP = {101, 82.87517, -6894.749, -9.15013, 6.430758E-06, 2}, LiqCp = {16, 217000, 82.075, 1.8853, 0.036678, -0.000031911}, HOV = {106, 5.838161E+07, 1.059379, -1.234692, 0.816701, -0.225175}, VapCp = {16, 48585, -365.95, 12.926, 0.00051631, -1.5846E-07}, LiqVis = {101, -10.941, 1191.2, -0.045562, -0.0000023087, 2}, VapVis = {102, 8.2493E-07, 0.49302, 371.93, -89.774, 0}, LiqK = {16, -0.040193, 3.6823, -1.645, -0.00052834, -0.0000014091}, VapK = {102, 0.000018829, 1.2378, -181.1, 146480, 0}, Racketparam = 0, UniquacR = 5.85, UniquacQ = 4.94, ChaoSeadAF = 0.2903, ChaoSeadSP = 14919.5, ChaoSeadLV = 0.158155);
+end TwoThreeThreetrimethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreedimethylbutane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreedimethylbutane.mo
new file mode 100644
index 0000000..f60f1b9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreedimethylbutane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoThreedimethylbutane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 134, name = "TwoThreedimethylbutane", CAS = "79-29-8", Tc = 499.9, Pc = 3130000, Vc = 0.3576, Cc = 0.269, Tb = 331.12, Tm = 145.19, TT = 145.19, TP = 0.0152127, MW = 86.177, LVB = 0.13117, AF = 0.248, SP = 14300, DM = 0, SH = -168070000.0, IGHF = -1.768E+08, GEF = -3125000, AS = 365920, HFMP = 799100, HOC = -3.84761E+09, LiqDen = {105, 0.67999, 0.25932, 500.01, 0.25836, 0}, VP = {101, 76.80058, -5679.218, -8.443302, 7.93783E-06, 2}, LiqCp = {16, 126350, -53.429, 8.8794, 0.010279, -0.0000080841}, HOV = {106, 4.7443E+07, 0.91932, -0.91329, 0.50392, -0.089442}, VapCp = {16, 46722, -391.59, 12.599, 0.00056088, -1.7583E-07}, LiqVis = {101, 6.9204, 231.1, -2.7393, -1.3079E-07, 2}, VapVis = {102, 6.8449E-07, 0.52371, 291.92, -3199.1, 0}, LiqK = {16, -0.05308, -5.5491, -1.4118, -0.0011735, -7.4229E-07}, VapK = {102, 0.000032078, 1.1749, -107.52, 129270, 0}, Racketparam = 0.2694, UniquacR = 4.4982, UniquacQ = 3.848, ChaoSeadAF = 0.24754, ChaoSeadSP = 14352.8, ChaoSeadLV = 0.13105);
+end TwoThreedimethylbutane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreedimethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreedimethylhexane.mo
new file mode 100644
index 0000000..df7f159
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreedimethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoThreedimethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 231, name = "TwoThreedimethylhexane", CAS = "584-94-1", Tc = 563.4, Pc = 2630000, Vc = 0.4682, Cc = 0.263, Tb = 388.76, Tm = 0, TT = 0, TP = 0, MW = 114.231, LVB = 0.16131, AF = 0.347, SP = 15020, DM = 0, SH = -1209000000.0, IGHF = -2.13886E+08, GEF = 1.50206E+07, AS = 451960, HFMP = 0, HOC = -5.07176E+09, LiqDen = {105, 0.48655, 0.24924, 563.43, 0.24533, 0}, VP = {101, 106.31, -8083.9, -12.636, 0.000008991, 2}, LiqCp = {16, -256410, 53.354, 11.988, 0.00458, -0.0000045457}, HOV = {106, 5.5877E+07, 0.44475, 0.4503, -0.98905, 0.49662}, VapCp = {16, 55247, -379.2, 12.913, 0.00048944, -1.5722E-07}, LiqVis = {101, 8.0389, 480.9, -3.1555, 0.0000074225, 2}, VapVis = {102, 4.4497E-07, 0.56168, 244.71, 41.585, 0}, LiqK = {16, -0.0041864, -133.36, -0.65326, -0.003975, 8.3867E-07}, VapK = {102, 0.000025619, 1.1862, -177.9, 153600, 0}, Racketparam = 0.263, UniquacR = 5.847, UniquacQ = 4.928, ChaoSeadAF = 0.347, ChaoSeadSP = 15020, ChaoSeadLV = 0.16131);
+end TwoThreedimethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreedimethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreedimethylpentane.mo
new file mode 100644
index 0000000..a2e4522
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoThreedimethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoThreedimethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 222, name = "TwoThreedimethylpentane", CAS = "565-59-3", Tc = 537.3, Pc = 2910000, Vc = 0.393, Cc = 0.256, Tb = 362.91, Tm = 0, TT = 0, TP = 0, MW = 100.204, LVB = 0.14505, AF = 0.297, SP = 14820, DM = 0, SH = -1209000000.0, IGHF = -1.941E+08, GEF = 5610000, AS = 414550, HFMP = 0, HOC = -4.45567E+09, LiqDen = {105, 0.60743, 0.26317, 537.3, 0.2444, 0}, VP = {101, 81.051, -6444.3, -8.9383, 0.0000069583, 2}, LiqCp = {16, 144370, -45.964, 9.0642, 0.010184, -0.0000082901}, HOV = {106, 5.686611E+07, 1.319959, -1.914129, 1.410201, -0.377243}, VapCp = {16, 33579, -324.43, 12.683, 0.00063287, -2.0243E-07}, LiqVis = {101, -16.952, 1255.2, 0.89405, -0.0000015964, 2}, VapVis = {102, 0.0000005037, 0.54462, 227.41, 8.0354, 0}, LiqK = {16, -0.054333, 2.0859, -1.4922, -0.00079317, -0.0000012037}, VapK = {102, 0.000019733, 1.2301, -158.93, 129950, 0}, Racketparam = 0.256, UniquacR = 5.1726, UniquacQ = 4.388, ChaoSeadAF = 0.297, ChaoSeadSP = 14820, ChaoSeadLV = 0.14505);
+end TwoThreedimethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoFivetrimethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoFivetrimethylhexane.mo
new file mode 100644
index 0000000..4db7536
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoFivetrimethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwoFivetrimethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 239, name = "TwoTwoFivetrimethylhexane", CAS = "3522-94-9", Tc = 568.05, Pc = 2330000, Vc = 0.519, Cc = 0.255, Tb = 397.24, Tm = 167.39, TT = 167.39, TP = 0.000968629, MW = 128.255, LVB = 0.18225, AF = 0.3571, SP = 14380, DM = 0, SH = -1209000000.0, IGHF = -2.533E+08, GEF = 1.38E+07, AS = 461700, HFMP = 6200000, HOC = -5.66643E+09, LiqDen = {105, 0.45081, 0.25256, 569.81, 0.27357, 0}, VP = {101, 133.84, -9023.578, -17.08913, 0.0000169305, 2}, LiqCp = {16, 84566, 233.86, 8.46, 0.013452, -0.000012421}, HOV = {106, 8.039801E+07, 1.702411, -1.574913, 0.0056916, 0.373292}, VapCp = {16, 102010, -531.68, 13.312, 0.00017105, -4.7837E-08}, LiqVis = {101, -12.084, 1011.7, 0.13186, -0.000000312, 2}, VapVis = {102, 6.7588E-07, 0.49876, 301.49, -1437, 0}, LiqK = {16, -0.13721, 56.65, -1.9542, 0.0024543, -0.0000043702}, VapK = {102, 0.000030176, 1.1642, -156.95, 161470, 0}, Racketparam = 0.255, UniquacR = 6.5207, UniquacQ = 5.548, ChaoSeadAF = 0.3571, ChaoSeadSP = 14380, ChaoSeadLV = 0.18225);
+end TwoTwoFivetrimethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoFourFourtetramethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoFourFourtetramethylpentane.mo
new file mode 100644
index 0000000..3c89a27
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoFourFourtetramethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwoFourFourtetramethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 244, name = "TwoTwoFourFourtetramethylpentane", CAS = "1070-87-7", Tc = 571.35, Pc = 2360870, Vc = 0.504, Cc = 0.263, Tb = 395.44, Tm = 206.95, TT = 206.95, TP = 1.83952, MW = 128.255, LVB = 0.17923, AF = 0.313609, SP = 14150, DM = 0, SH = -1209000000.0, IGHF = -2.41375E+08, GEF = 3.40159E+07, AS = 431496, HFMP = 9700000, HOC = -5.67978E+09, LiqDen = {105, 0.47711, 0.25904, 574.61, 0.26647, 0}, VP = {101, 136.5701, -9035.55, -17.5287, 0.0000167892, 2}, LiqCp = {16, 119280, 88.665, 9.3063, 0.010453, -0.0000091934}, HOV = {106, 5.75823E+07, 1.154086, -2.055247, 2.209851, -0.923166}, VapCp = {16, 122670, -599.26, 13.402, 0.000099085, -1.741E-08}, LiqVis = {101, -10.148, 1468.8, -0.33327, -0.0000013179, 2}, VapVis = {102, 5.8808E-07, 0.52306, 289.62, -2721.1, 0}, LiqK = {16, -0.038909, -2.6455, -1.623, -0.0006558, -0.0000013711}, VapK = {102, 0.000015165, 1.2696, -148.49, 133700, 0}, Racketparam = 0.263, UniquacR = 6.52, UniquacQ = 5.628, ChaoSeadAF = 0.313609, ChaoSeadSP = 14150, ChaoSeadLV = 0.17923);
+end TwoTwoFourFourtetramethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoFourtrimethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoFourtrimethylpentane.mo
new file mode 100644
index 0000000..8dc5c60
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoFourtrimethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwoFourtrimethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 157, name = "TwoTwoFourtrimethylpentane", CAS = "540-84-1", Tc = 543.9, Pc = 2570000, Vc = 0.4697, Cc = 0.266, Tb = 372.39, Tm = 165.777, TT = 165.777, TP = 0.0170695, MW = 114.231, LVB = 0.16607, AF = 0.304, SP = 14080, DM = 0, SH = -168070000.0, IGHF = -2.2401E+08, GEF = 1.394E+07, AS = 422960, HFMP = 9196000, HOC = -5.06528E+09, LiqDen = {105, 0.48523, 0.24924, 543.9, 0.25602, 0}, VP = {101, 83.71044, -6701.601, -9.312194, 6.808451E-06, 2}, LiqCp = {16, 159470, -380.54, 12.372, -0.00044236, 0.0000034887}, HOV = {106, 4.633E+07, 0.37451, -0.066775, -0.010135, 0.080832}, VapCp = {16, 84635, -470.35, 13.011, 0.00041124, -1.2926E-07}, LiqVis = {101, -22.241, 1365.6, 1.8379, -0.0000051189, 2}, VapVis = {102, 1.9933E-07, 0.67222, 163.02, -5306.3, 0}, LiqK = {16, 0.044744, -42.414, -1.7361, -0.0023225, -0.0000040597}, VapK = {102, 0.000011401, 1.3632, 286.23, 6065.2, 0}, Racketparam = 0, UniquacR = 5.85, UniquacQ = 4.94, ChaoSeadAF = 0.3033, ChaoSeadSP = 14050.5, ChaoSeadLV = 0.165452);
+end TwoTwoFourtrimethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreeFourtetramethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreeFourtetramethylpentane.mo
new file mode 100644
index 0000000..1397fab
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreeFourtetramethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwoThreeFourtetramethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 243, name = "TwoTwoThreeFourtetramethylpentane", CAS = "1186-53-4", Tc = 592.7, Pc = 2530000, Vc = 0.49, Cc = 0.258, Tb = 406.18, Tm = 152.06, TT = 152.06, TP = 0.000053591, MW = 128.258, LVB = 0.179229, AF = 0.301, SP = 14730, DM = 0, SH = -1209000000.0, IGHF = -2.37358E+08, GEF = 3.26352E+07, AS = 452834, HFMP = 500000, HOC = -5.68208E+09, LiqDen = {105, 0.42889, 0.24425, 592.7, 0.24983, 0}, VP = {101, 137.07, -9700.5, -17.255, 0.000012062, 2}, LiqCp = {16, 177720, -50.337, 8.3416, 0.015008, -0.000013849}, HOV = {106, 5.771831E+07, 1.016576, -1.835135, 2.12911, -0.921819}, VapCp = {16, 83946, -465.16, 13.193, 0.000328, -9.6189E-08}, LiqVis = {101, -8.182, 1248.5, -0.55988, -2.1902E-07, 2}, VapVis = {102, 3.9083E-07, 0.57522, 220.52, -776.34, 0}, LiqK = {16, -0.045924, 4.3553, -1.6529, -0.00040588, -0.000001389}, VapK = {102, 0.000019408, 1.2262, -198.62, 159810, 0}, Racketparam = 0.258, UniquacR = 6.5199, UniquacQ = 5.544, ChaoSeadAF = 0.301, ChaoSeadSP = 14730, ChaoSeadLV = 0.179229);
+end TwoTwoThreeFourtetramethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreeThreetetramethylbutane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreeThreetetramethylbutane.mo
new file mode 100644
index 0000000..79aafae
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreeThreetetramethylbutane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwoThreeThreetetramethylbutane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 238, name = "TwoTwoThreeThreetetramethylbutane", CAS = "594-82-1", Tc = 567.8, Pc = 2870000, Vc = 0.482, Cc = 0.28, Tb = 379.44, Tm = 373.84, TT = 373.96, TP = 86930.2, MW = 114.231, LVB = 0.13902, AF = 0.248, SP = 12790, DM = 0, SH = -1209000000.0, IGHF = -2.256E+08, GEF = 2.223E+07, AS = 389360, HFMP = 7540000, HOC = -5.0558E+09, LiqDen = {105, 0.61397, 0.27674, 567.8, 0.28198, 0}, VP = {101, 120.66, -8500.6, -14.863, 0.000010649, 2}, LiqCp = {16, 239620, 55.905, 3.1054, 0.027363, -0.000020376}, HOV = {106, 5.3062E+07, 0.30484, 0.85323, -1.2161, 0.48282}, VapCp = {16, 73914, -415.76, 12.897, 0.00056384, -1.6707E-07}, LiqVis = {101, -17.538, 1603.5, 0.8804, -0.0000034564, 2}, VapVis = {102, 7.9099E-07, 0.51128, 412.18, -5389.1, 0}, LiqK = {16, -0.0058143, -354.88, 0.79351, -0.0067293, 0.0000023134}, VapK = {102, 0.000012508, 1.3068, -132.52, 121650, 0}, Racketparam = 0.28, UniquacR = 5.8456, UniquacQ = 5.088, ChaoSeadAF = 0.248, ChaoSeadSP = 12790, ChaoSeadLV = 0.13902);
+end TwoTwoThreeThreetetramethylbutane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreeThreetetramethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreeThreetetramethylpentane.mo
new file mode 100644
index 0000000..f70ccf5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreeThreetetramethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwoThreeThreetetramethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 242, name = "TwoTwoThreeThreetetramethylpentane", CAS = "7154-79-2", Tc = 607.6, Pc = 2740000, Vc = 0.478, Cc = 0.269, Tb = 413.44, Tm = 263.26, TT = 263.26, TP = 133.839, MW = 128.258, LVB = 0.17034, AF = 0.304, SP = 15060, DM = 0, SH = -1209000000.0, IGHF = -2.36856E+08, GEF = 3.74E+07, AS = 436600, HFMP = 2300000, HOC = -5.68149E+09, LiqDen = {105, 0.58952, 0.28267, 607.6, 0.29572, 0}, VP = {101, 139.0487, -9535.451, -17.78617, 0.0000157521, 2}, LiqCp = {16, 116740, -86.104, 11.13, 0.0046308, -0.000003068}, HOV = {106, 5.3713E+07, 0.39899, -0.032998, 0.06374, -0.0535}, VapCp = {16, 55048, -357.31, 13.013, 0.00055209, -1.6211E-07}, LiqVis = {101, -9.7597, 1441.2, -0.37772, -0.000001226, 2}, VapVis = {102, 8.1934E-07, 0.48521, 356.82, -1384.3, 0}, LiqK = {16, -0.0045701, -120.11, -0.775, -0.0036256, 9.650699E-07}, VapK = {102, 0.000014917, 1.2661, -211.67, 155870, 0}, Racketparam = 0.269, UniquacR = 6.52, UniquacQ = 5.628, ChaoSeadAF = 0.304, ChaoSeadSP = 15060, ChaoSeadLV = 0.17034);
+end TwoTwoThreeThreetetramethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreetrimethylbutane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreetrimethylbutane.mo
new file mode 100644
index 0000000..66c2166
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreetrimethylbutane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwoThreetrimethylbutane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 225, name = "TwoTwoThreetrimethylbutane", CAS = "464-06-2", Tc = 531.1, Pc = 2950000, Vc = 0.3976, Cc = 0.266, Tb = 354.01, Tm = 248.253, TT = 248.57, TP = 914.054, MW = 100.204, LVB = 0.14615, AF = 0.25, SP = 14250, DM = 0, SH = -1209000000.0, IGHF = -2.04765E+08, GEF = 4600000, AS = 383340, HFMP = 2261030, HOC = -4.45223E+09, LiqDen = {105, 0.36152, 0.20413, 531.16, 0.1958, 0}, VP = {101, 68.92285, -5729.492, -7.139255, 5.482993E-06, 2}, LiqCp = {16, 95157, -51.889, 10.538, 0.0057229, -0.0000043706}, HOV = {106, 4.4282E+07, 0.37696, 0.13995, -0.28638, 0.1473}, VapCp = {16, 64561, -425.21, 12.779, 0.00055174, -1.7221E-07}, LiqVis = {101, 15.143, 240.01, -4.2433, 0.0000080652, 2}, VapVis = {102, 8.5825E-08, 0.78963, 152.98, -29510, 0}, LiqK = {16, 0.044619, -214.12, 0.30167, -0.0096656, 0.0000053979}, VapK = {102, 0.000030164, 1.1874, -102.65, 141040, 0}, Racketparam = 0.266, UniquacR = 5.1719, UniquacQ = 4.468, ChaoSeadAF = 0.25, ChaoSeadSP = 14250, ChaoSeadLV = 0.14615);
+end TwoTwoThreetrimethylbutane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreetrimethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreetrimethylpentane.mo
new file mode 100644
index 0000000..4de4b54
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwoThreetrimethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwoThreetrimethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 156, name = "TwoTwoThreetrimethylpentane", CAS = "564-02-3", Tc = 563.4, Pc = 2730000, Vc = 0.436, Cc = 0.254, Tb = 382.99, Tm = 160.89, TT = 160.89, TP = 0.0021759, MW = 114.231, LVB = 0.16043, AF = 0.298, SP = 14690, DM = 0, SH = -168070000.0, IGHF = -2.1995E+08, GEF = 1.7726E+07, AS = 423880, HFMP = 8619000, HOC = -5.06754E+09, LiqDen = {105, 0.53892, 0.263, 563.51, 0.24185, 0}, VP = {101, 87.50671, -7031.238, -9.863302, 7.128886E-06, 2}, LiqCp = {16, 170570, -194.18, 8.4382, 0.017272, -0.000019404}, HOV = {106, 6.030131E+07, 1.053957, -0.826185, 0.00124096, 0.214352}, VapCp = {16, 45546, -344.09, 12.853, 0.00059243, -1.8071E-07}, LiqVis = {101, -8.9806, 1118.5, -0.42179, 0.000001606, 2}, VapVis = {102, 4.6777E-07, 0.5509, 223.7, 10.797, 0}, LiqK = {16, -0.050146, 3.605, -1.5994, -0.00051269, -0.0000013443}, VapK = {102, 0.000016836, 1.25, -167.06, 132290, 0}, Racketparam = 0, UniquacR = 5.85, UniquacQ = 4.94, ChaoSeadAF = 0.2975, ChaoSeadSP = 14768.5, ChaoSeadLV = 0.160344);
+end TwoTwoThreetrimethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylOnepropanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylOnepropanol.mo
new file mode 100644
index 0000000..67284b7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylOnepropanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwodimethylOnepropanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 344, name = "TwoTwodimethylOnepropanol", CAS = "75-84-3", Tc = 552.7, Pc = 4078000, Vc = 0.327, Cc = 0.29, Tb = 386.25, Tm = 328.15, TT = 328.15, TP = 8050, MW = 88.1482, LVB = 0.1255, AF = 0.595013, SP = 19040, DM = 5.47E-30, SH = -216400000.0, IGHF = -3.021E+08, GEF = -1.4E+08, AS = 370000, HFMP = 3500000, HOC = -3.061E+09, LiqDen = {105, 0.88741, 0.29, 552.7, 0.28571, 0}, VP = {101, 192.4683, -12413.62, -25.59931, 0.0000246643, 2}, LiqCp = {16, 124850, 368.96, 4.9094, 0.027472, -0.00002893}, HOV = {106, 4.5224E+07, -1.2435, 2.138, 0.13988, -0.73989}, VapCp = {16, 72294.67, -550.0374, 12.86817, 0.000039202, -1.255351E-08}, LiqVis = {101, -12.693, 3446.8, -0.71456, 0.0000011322, 2}, VapVis = {102, 0.000021696, 0.15612, 1926.2, 5137.4, 0}, LiqK = {16, -0.11602, 10.416, -1.227, -0.00033355, -0.00000113}, VapK = {102, 1.2842E-07, 1.9773, -61.933, 2946, 0}, Racketparam = 0.29, UniquacR = 4.5972, UniquacQ = 4.284, ChaoSeadAF = 0.595013, ChaoSeadSP = 19040, ChaoSeadLV = 0.1255);
+end TwoTwodimethylOnepropanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylbutane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylbutane.mo
new file mode 100644
index 0000000..5d1803a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylbutane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwodimethylbutane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 133, name = "TwoTwodimethylbutane", CAS = "75-83-2", Tc = 488.7, Pc = 3080000, Vc = 0.3591, Cc = 0.272, Tb = 322.87, Tm = 174.28, TT = 174.28, TP = 4.0748, MW = 86.177, LVB = 0.13373, AF = 0.233, SP = 13770, DM = 0, SH = -168070000.0, IGHF = -1.8468E+08, GEF = -8745000, AS = 358340, HFMP = 579100, HOC = -3.8411E+09, LiqDen = {105, 0.68727, 0.26184, 489.01, 0.26217, 0}, VP = {101, 94.2252, -6117.857, -11.25759, 0.0000123761, 2}, LiqCp = {16, 117360, -28.344, 9.2143, 0.0086854, -0.00000596}, HOV = {106, 5.850808E+07, 1.595989, -1.437803, 0.0287957, 0.293443}, VapCp = {16, 73375, -521.55, 12.775, 0.00038975, -1.1854E-07}, LiqVis = {101, 22.562, -455.85, -5.0804, -5.7101E-07, 2}, VapVis = {102, 1.9362E-07, 0.68259, 102.35, -10.082, 0}, LiqK = {16, -0.038291, 4.8824, -1.6311, -0.00047294, -0.0000023877}, VapK = {102, 0.00018521, 0.9549, 83.825, 174320, 0}, Racketparam = 0, UniquacR = 4.4983, UniquacQ = 3.932, ChaoSeadAF = 0.23385, ChaoSeadSP = 13771.5, ChaoSeadLV = 0.133712);
+end TwoTwodimethylbutane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylheptane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylheptane.mo
new file mode 100644
index 0000000..2beb166
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylheptane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwodimethylheptane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 250, name = "TwoTwodimethylheptane", CAS = "1071-26-7", Tc = 577.8, Pc = 2350000, Vc = 0.525, Cc = 0.257, Tb = 405.97, Tm = 160.15, TT = 160.15, TP = 0.000152983, MW = 128.258, LVB = 0.18151, AF = 0.383, SP = 14720, DM = 0, SH = -1209000000.0, IGHF = -2.461E+08, GEF = 1.79E+07, AS = 471800, HFMP = 8900000, HOC = -5.672E+09, LiqDen = {105, 0.19929, 0.16944, 577.8, 0.19098, 0}, VP = {101, 173.1768, -10891.65, -23.04354, 0.0000217483, 2}, LiqCp = {16, 188490, -126.2, 10.161, 0.0065361, -0.0000033154}, HOV = {106, 5.677584E+07, 0.420266, 0.0606766, -0.058971, -0.0565229}, VapCp = {16, 119340, -582.53, 13.386, 0.000067675, -2.1229E-08}, LiqVis = {101, -11.654, 1250.4, 0.03445, -6.0618E-08, 2}, VapVis = {102, 8.0205E-07, 0.4765, 340.6, -3260.3, 0}, LiqK = {16, -0.04961, 4.5364, -1.657, -0.00038774, -0.0000014465}, VapK = {102, 0.000023582, 1.1966, -148.34, 144910, 0}, Racketparam = 0.257, UniquacR = 6.5215, UniquacQ = 5.552, ChaoSeadAF = 0.383, ChaoSeadSP = 14720, ChaoSeadLV = 0.18151);
+end TwoTwodimethylheptane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylhexane.mo
new file mode 100644
index 0000000..36918fc
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwodimethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 230, name = "TwoTwodimethylhexane", CAS = "590-73-8", Tc = 549.8, Pc = 2530000, Vc = 0.478, Cc = 0.265, Tb = 379.99, Tm = 151.97, TT = 151.97, TP = 0.000215228, MW = 114.231, LVB = 0.16529, AF = 0.339, SP = 14580, DM = 0, SH = -1209000000.0, IGHF = -2.24723E+08, GEF = 1.0711E+07, AS = 432710, HFMP = 6778080, HOC = -5.06247E+09, LiqDen = {105, 0.54681, 0.26386, 549.8, 0.27774, 0}, VP = {101, 94.06922, -7328.821, -10.84298, 7.99047E-06, 2}, LiqCp = {16, 125360, 373.89, 5.844, 0.022419, -0.00002308}, HOV = {106, 6.211522E+07, 1.000418, -0.588989, -0.277913, 0.313577}, VapCp = {16, 97647, -528.4, 13.112, 0.00027844, -9.0187E-08}, LiqVis = {101, -11.328, 1166.6, -0.039718, 2.6889E-07, 2}, VapVis = {102, 0.0000018535, 0.38476, 528.24, 78.686, 0}, LiqK = {16, -0.03878, 5.2314, -1.6985, -0.00038448, -0.000001806}, VapK = {102, 0.000045965, 1.1142, -113.91, 162780, 0}, Racketparam = 0.265, UniquacR = 5.8471, UniquacQ = 5.012, ChaoSeadAF = 0.339, ChaoSeadSP = 14580, ChaoSeadLV = 0.16529);
+end TwoTwodimethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethyloctane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethyloctane.mo
new file mode 100644
index 0000000..a0ab019
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethyloctane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwodimethyloctane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 252, name = "TwoTwodimethyloctane", CAS = "15869-87-1", Tc = 602.4, Pc = 2110000, Vc = 0.5897, Cc = 0.248, Tb = 430.05, Tm = 0, TT = 0, TP = 0, MW = 142.282, LVB = 0.197405, AF = 0.428759, SP = 14870, DM = 0, SH = -1209000000.0, IGHF = -2.67E+08, GEF = 2.6E+07, AS = 511000, HFMP = 1.7E+07, HOC = -6.281E+09, LiqDen = {105, 0.27519, 0.20873, 602.4, 0.22241, 0}, VP = {101, 128.2162, -9736.787, -15.87938, 0.0000121145, 2}, LiqCp = {16, 130180, 214, 8.9638, 0.010626, -0.0000085091}, HOV = {106, 6.2139E+07, 0.81955, -1.4728, 1.7846, -0.74179}, VapCp = {16, 133300, -582.81, 13.49, 0.000049115, -1.5637E-08}, LiqVis = {101, -12.132, 1337.2, 0.10372, -1.6576E-07, 2}, VapVis = {102, 6.6483E-07, 0.48953, 292.37, 276.07, 0}, LiqK = {16, -0.054905, -9.2849, -1.513, -0.00077582, -8.6839E-07}, VapK = {102, 0.000023992, 1.186, -157.89, 154490, 0}, Racketparam = 0.248, UniquacR = 7.1959, UniquacQ = 6.092, ChaoSeadAF = 0.428759, ChaoSeadSP = 14870, ChaoSeadLV = 0.197405);
+end TwoTwodimethyloctane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylpentane.mo
new file mode 100644
index 0000000..6099fd5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwoTwodimethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwoTwodimethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 221, name = "TwoTwodimethylpentane", CAS = "590-35-2", Tc = 520.4, Pc = 2770000, Vc = 0.4158, Cc = 0.266, Tb = 352.32, Tm = 149.34, TT = 149.34, TP = 0.00317517, MW = 100.204, LVB = 0.14967, AF = 0.287, SP = 14260, DM = 0, SH = -1209000000.0, IGHF = -2.06146E+08, GEF = 550000, AS = 392580, HFMP = 5824000, HOC = -4.45048E+09, LiqDen = {105, 0.5639, 0.25328, 520.51, 0.25578, 0}, VP = {101, 85.15112, -6377.959, -9.646055, 8.426861E-06, 2}, LiqCp = {16, 129920, -35.818, 9.4637, 0.0091865, -0.0000074351}, HOV = {106, 5.34663E+07, 0.794603, -0.00994342, -0.969824, 0.623819}, VapCp = {16, 80553, -507.91, 12.99, 0.00027095, -7.6982E-08}, LiqVis = {101, -24.348, 1370.4, 2.2619, -0.0000092505, 2}, VapVis = {102, 3.1425E-07, 0.61072, 160.83, 5436.3, 0}, LiqK = {16, -0.052706, 3.783, -1.5822, -0.00046167, -0.0000017248}, VapK = {102, 0.000010009, 1.3247, -199.43, 115550, 0}, Racketparam = 0.266, UniquacR = 5.1727, UniquacQ = 4.472, ChaoSeadAF = 0.287, ChaoSeadSP = 14260, ChaoSeadLV = 0.14967);
+end TwoTwodimethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twobutanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twobutanol.mo
new file mode 100644
index 0000000..c7c8c29
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twobutanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twobutanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 96, name = "Twobutanol", CAS = "78-92-2", Tc = 536.05, Pc = 4179000, Vc = 0.269, Cc = 0.252, Tb = 372.66, Tm = 158.45, TT = 158.45, TP = 3.16526E-06, MW = 74.123, LVB = 0.09235, AF = 0.574, SP = 22620, DM = 5.54E-30, SH = -134990000.0, IGHF = -2.929E+08, GEF = -1.696E+08, AS = 364690, HFMP = 5971000, HOC = -2.4408E+09, LiqDen = {105, 0.65041, 0.21558, 536.05, 0.22084, 0}, VP = {101, 145.55, -10811, -17.957, 0.0000094132, 2}, LiqCp = {16, 68513, 631.42, 2.7425, 0.03164, -0.000028572}, HOV = {106, 9.123771E+07, 1.779726, -3.389854, 3.546493, -1.385264}, VapCp = {16, 70319, -564.51, 12.517, 0.00018661, -6.3166E-08}, LiqVis = {101, 19.329, 3026.9, -6.6532, 0.000029986, 2}, VapVis = {102, 1.3231E-07, 0.76798, 139.73, -4888.6, 0}, LiqK = {16, 0.031711, -158.34, -0.24491, -0.0057475, 0.000002591}, VapK = {102, 0.0000011661, 1.7056, 340.33, -60553, 0}, Racketparam = 0, UniquacR = 3.4535, UniquacQ = 3.048, ChaoSeadAF = 0.571133, ChaoSeadSP = 22629.5, ChaoSeadLV = 0.0921178);
+end Twobutanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twoethylmxylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twoethylmxylene.mo
new file mode 100644
index 0000000..37d65d7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twoethylmxylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twoethylmxylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 300, name = "Twoethylmxylene", CAS = "2870-04-4", Tc = 670, Pc = 2960000, Vc = 0.446, Cc = 0.261, Tb = 463.19, Tm = 257, TT = 256.89, TP = 2.81505, MW = 134.218, LVB = 0.151424, AF = 0.405, SP = 18140, DM = 0, SH = -1209000000.0, IGHF = -2.623E+07, GEF = 1.379E+08, AS = 421000, HFMP = 1.471E+07, HOC = -5.548E+09, LiqDen = {105, 0.55372, 0.25979, 670, 0.29804, 0}, VP = {101, 101.54, -9425, -11.552, 0.0000057989, 2}, LiqCp = {16, 77646, -101.26, 11.392, 0.0045401, -0.0000038677}, HOV = {106, 8.2672E+07, 1.1027, -0.68529, -0.33367, 0.36103}, VapCp = {16, 80902, -471.57, 13.059, 0.00022749, -9.0171E-08}, LiqVis = {101, -15.587, 1737.4, 0.54173, -0.0000007502, 2}, VapVis = {102, 0.0000044354, 0.29008, 895.67, 100.88, 0}, LiqK = {16, -0.038284, -32.06, -1.2755, -0.0012699, -0.0000004068}, VapK = {102, 0.000097738, 1.031, 536.66, 42862, 0}, Racketparam = 0.261, UniquacR = 6.0672, UniquacQ = 4.644, ChaoSeadAF = 0.405, ChaoSeadSP = 18140, ChaoSeadLV = 0.151424);
+end Twoethylmxylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twoethylpxylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twoethylpxylene.mo
new file mode 100644
index 0000000..d8711d5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twoethylpxylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twoethylpxylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 301, name = "Twoethylpxylene", CAS = "1758-88-9", Tc = 680, Pc = 3380000, Vc = 0.461, Cc = 0.252, Tb = 460.09, Tm = 219, TT = 219.52, TP = 0.0748611, MW = 134.218, LVB = 0.153715, AF = 0.36, SP = 17610, DM = 0, SH = -1209000000.0, IGHF = -3.218E+07, GEF = 1.273E+08, AS = 436600, HFMP = 1.519E+07, HOC = -5.543E+09, LiqDen = {105, 0.15639, 0.13957, 680, 0.19566, 0}, VP = {101, 51.35796, -7093.865, -3.98884, 0.0000002143, 2}, LiqCp = {16, 115180, -69.179, 10.574, 0.0065199, -0.0000055164}, HOV = {106, 8.269938E+07, 2.580922, -6.4761, 7.125795, -2.740318}, VapCp = {16, 90693, -533.27, 13.139, 0.00014143, -6.0863E-08}, LiqVis = {101, -12.139, 1509, 0.050995, -2.3531E-08, 2}, VapVis = {102, 0.0000010483, 0.4491, 412.22, -1561.4, 0}, LiqK = {16, -0.080449, 4.7926, -1.4191, -0.00032019, -9.3368E-07}, VapK = {102, 0.000085732, 1.0445, 516.18, 46622, 0}, Racketparam = 0.252, UniquacR = 6.0672, UniquacQ = 4.644, ChaoSeadAF = 0.36, ChaoSeadSP = 17610, ChaoSeadLV = 0.153715);
+end Twoethylpxylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twoheptanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twoheptanone.mo
new file mode 100644
index 0000000..a0d8421
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twoheptanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twoheptanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 313, name = "Twoheptanone", CAS = "110-43-0", Tc = 611.55, Pc = 2920000, Vc = 0.421, Cc = 0.251, Tb = 424.05, Tm = 238.15, TT = 238.15, TP = 3.54477, MW = 114.185, LVB = 0.140675, AF = 0.418982, SP = 17400, DM = 8.71E-30, SH = -1209000000.0, IGHF = -3.00453E+08, GEF = -1.21796E+08, AS = 456893, HFMP = 1.84E+07, HOC = -4.09952E+09, LiqDen = {105, 0.42296, 0.21673, 611.55, 0.2517, 0}, VP = {101, 104.1321, -8934.299, -12.02629, 6.758209E-06, 2}, LiqCp = {16, 168580, 759.37, 3.3604, 0.023088, -0.000017848}, HOV = {106, 6.522658E+07, 0.472207, 0.238382, -0.54369, 0.222217}, VapCp = {16, 119760, -702.71, 13.229, -0.000074262, -4.5595E-08}, LiqVis = {101, -9.5709, 1186.6, -0.30187, 0.0000013185, 2}, VapVis = {102, 1.5766E-07, 0.71212, 201.61, -8396.4, 0}, LiqK = {16, 0.061916, -162.99, -0.59984, -0.0044095, -0.0000013415}, VapK = {102, 2047.3, 1.0324, 2.297E+10, 7.8096E+08, 0}, Racketparam = 0.251, UniquacR = 5.2711, UniquacQ = 4.496, ChaoSeadAF = 0.418982, ChaoSeadSP = 17400, ChaoSeadLV = 0.140675);
+end Twoheptanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twohexanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twohexanone.mo
new file mode 100644
index 0000000..4f5aa7e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twohexanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twohexanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 312, name = "Twohexanone", CAS = "591-78-6", Tc = 587, Pc = 3320000, Vc = 0.378, Cc = 0.254, Tb = 400.7, Tm = 217.35, TT = 217.35, TP = 1.44559, MW = 100.161, LVB = 0.1241, AF = 0.393, SP = 17600, DM = 8.94E-30, SH = -1209000000.0, IGHF = -2.79826E+08, GEF = -1.30081E+08, AS = 417856, HFMP = 1.49E+07, HOC = -3.49E+09, LiqDen = {105, 0.58528, 0.23872, 587.62, 0.26191, 0}, VP = {101, 81.22606, -7467.987, -8.650385, 4.736711E-06, 2}, LiqCp = {16, 171430, 304.46, 6.7554, 0.010928, -0.0000044198}, HOV = {106, 8.140665E+07, 1.724728, -1.991428, 0.65901, 0.10235}, VapCp = {16, 101950, -647, 12.874, 0.00017699, -1.3836E-07}, LiqVis = {101, -9.5407, 1129.1, -0.30673, 6.1273E-07, 2}, VapVis = {102, 1.7562E-07, 0.7037, 196.23, -7085.8, 0}, LiqK = {16, -0.0056603, -27.398, -1.2811, -0.0017572, -3.9285E-07}, VapK = {102, -0.96934, 0.03859, -1883.3, -1.1142E+07, 0}, Racketparam = 0.254, UniquacR = 4.5967, UniquacQ = 3.956, ChaoSeadAF = 0.393, ChaoSeadSP = 17600, ChaoSeadLV = 0.1241);
+end Twohexanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnebutanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnebutanol.mo
new file mode 100644
index 0000000..936adc6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnebutanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwomethylOnebutanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 343, name = "TwomethylOnebutanol", CAS = "137-32-6", Tc = 575.4, Pc = 3940000, Vc = 0.329, Cc = 0.271, Tb = 401.85, Tm = 195, TT = 195, TP = 0.000803, MW = 88.148, LVB = 0.1083, AF = 0.587733, SP = 22080, DM = 6.27E-30, SH = -216400000.0, IGHF = -3.0209E+08, GEF = -1.41E+08, AS = 386900, HFMP = 7430000, HOC = -3.062E+09, LiqDen = {105, 0.88123, 0.27569, 576.16, 0.26459, 0}, VP = {101, 169.4054, -12535.91, -21.44821, 0.000011664, 2}, LiqCp = {16, 64512, -115.41, 11.54, 0.0018322, 0.0000027168}, HOV = {106, 1.7446E+08, 5.4789, -13.886, 15.653, -6.6531}, VapCp = {16, 76232, -567.6, 12.811, 0.000074113, -1.3012E-08}, LiqVis = {101, 0.00893998, 2796.534, -2.732303, 0.0000087109, 2}, VapVis = {102, 0.000000189, 0.70643, 185.92, -6046.6, 0}, LiqK = {16, 0.080313, -215.29, -0.17577, -0.0076457, 0.000003672}, VapK = {102, 1262.3, 0.94565, 7.7547E+09, -2.8418E+11, 0}, Racketparam = 0.271, UniquacR = 4.5979, UniquacQ = 4.204, ChaoSeadAF = 0.587733, ChaoSeadSP = 22080, ChaoSeadLV = 0.1083);
+end TwomethylOnebutanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnebutene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnebutene.mo
new file mode 100644
index 0000000..23aafdf
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnebutene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwomethylOnebutene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 105, name = "TwomethylOnebutene", CAS = "563-46-2", Tc = 465, Pc = 3447000, Vc = 0.292, Cc = 0.26, Tb = 304.305, Tm = 135.578, TT = 135.578, TP = 0.0205382, MW = 70.1329, LVB = 0.10872, AF = 0.234056, SP = 14700, DM = 1.7E-30, SH = -134990000.0, IGHF = -3.53E+07, GEF = 6.668E+07, AS = 339500, HFMP = 7910700, HOC = -3.1159E+09, LiqDen = {105, 0.91622, 0.26752, 465, 0.28165, 0}, VP = {101, 77.29304, -5304.146, -8.607604, 9.513458E-06, 2}, LiqCp = {16, 121560, 527.31, 1.2291, 0.036295, -0.000037525}, HOV = {106, 4.6374E+07, 1.4214, -2.5789, 2.5516, -0.95454}, VapCp = {16, 81218, -803.24, 13.077, -0.00034159, 9.7536E-08}, LiqVis = {101, -10.065, 690.04, -0.13044, 0.0000004745, 2}, VapVis = {102, 5.0873E-07, 0.55006, 197.77, -68.455, 0}, LiqK = {16, -0.024046, 2.4654, -1.5931, -0.00074325, -0.0000024745}, VapK = {102, 0.00018088, 0.94101, 77.857, 153680, 0}, Racketparam = 0.270022, UniquacR = 3.5939, UniquacQ = 3.224, ChaoSeadAF = 0.228663, ChaoSeadSP = 14695.4, ChaoSeadLV = 0.10868);
+end TwomethylOnebutene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOneheptene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOneheptene.mo
new file mode 100644
index 0000000..7ad5923
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOneheptene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwomethylOneheptene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 420, name = "TwomethylOneheptene", CAS = "15870-10-7", Tc = 564, Pc = 2400000, Vc = 0.497, Cc = 0.25, Tb = 392.37, Tm = 185.78, TT = 185.77, TP = 0.113498, MW = 112.213, LVB = 0.156655, AF = 0.35513, SP = 15180, DM = 0, SH = -61100000.0, IGHF = -9.699E+07, GEF = 9.32E+07, AS = 457800, HFMP = 1.44E+07, HOC = -4.948E+09, LiqDen = {105, 0.53765, 0.25476, 567.01, 0.28376, 0}, VP = {101, 108.46, -8257.2, -12.941, 0.0000091062, 2}, LiqCp = {16, 88257, 855.11, 3.1929, 0.026245, -0.000022451}, HOV = {106, 5.8021E+07, 1.4711, -3.336, 3.8018, -1.5579}, VapCp = {16, 92500, -450.54, 12.712, 0.00068864, -3.0334E-07}, LiqVis = {101, -34.674, 1655.3, 3.8693, -0.0000085602, 2}, VapVis = {102, 5.7686E-07, 0.51551, 255.32, -429.98, 0}, LiqK = {16, -0.0714, 1.7767, -1.4729, -0.00055517, -0.0000010492}, VapK = {102, 0.00085233, 0.71803, 81.386, 330930, 0}, Racketparam = 0.25, UniquacR = 5.6171, UniquacQ = 4.844, ChaoSeadAF = 0.35513, ChaoSeadSP = 15180, ChaoSeadLV = 0.156655);
+end TwomethylOneheptene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnepentene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnepentene.mo
new file mode 100644
index 0000000..b669495
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnepentene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwomethylOnepentene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 262, name = "TwomethylOnepentene", CAS = "763-29-1", Tc = 507, Pc = 3160000, Vc = 0.359, Cc = 0.261, Tb = 335.26, Tm = 137.43, TT = 137.42, TP = 0.000805463, MW = 84.1595, LVB = 0.124649, AF = 0.261138, SP = 15070, DM = 1.89E-30, SH = -1209000000.0, IGHF = -5.22581E+07, GEF = 7.2969E+07, AS = 374000, HFMP = 7029120, HOC = -3.72209E+09, LiqDen = {105, 0.13372, 0.11276, 507, 0.1472, 0}, VP = {101, 85.161, -6171.1, -9.6632, 0.0000085639, 2}, LiqCp = {16, 173630, -41311, 386.78, -1.1602, 0.0012063}, HOV = {106, 5.397303E+07, 1.23932, -1.433928, 0.797889, -0.142823}, VapCp = {16, 92049, -683.66, 13.009, -0.000089454, 1.0969E-08}, LiqVis = {101, -11.406, 797.71, 0.099228, -5.3373E-07, 2}, VapVis = {102, 6.3076E-07, 0.52447, 272.22, -3046.8, 0}, LiqK = {16, -0.026056, 4.3913, -1.6749, -0.00048682, -0.0000023385}, VapK = {102, 0.000074858, 1.0485, -32.169, 140340, 0}, Racketparam = 0.261, UniquacR = 4.2689, UniquacQ = 3.64, ChaoSeadAF = 0.261138, ChaoSeadSP = 15070, ChaoSeadLV = 0.124649);
+end TwomethylOnepentene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnepropanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnepropanol.mo
new file mode 100644
index 0000000..94e5950
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylOnepropanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwomethylOnepropanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 95, name = "TwomethylOnepropanol", CAS = "78-83-1", Tc = 547.78, Pc = 4300000, Vc = 0.273, Cc = 0.258, Tb = 381.04, Tm = 165.15, TT = 165.15, TP = 2.46096E-06, MW = 74.123, LVB = 0.09291, AF = 0.59, SP = 22900, DM = 5.47E-30, SH = -134990000.0, IGHF = -2.832E+08, GEF = -1.549E+08, AS = 348000, HFMP = 6322000, HOC = -2.449E+09, LiqDen = {105, 0.80194, 0.24515, 547.81, 0.21175, 0}, VP = {101, 174.0368, -12288.81, -22.23928, 0.0000131856, 2}, LiqCp = {16, 114500, 844.65, -3.6753, 0.058766, -0.000062464}, HOV = {106, 6.1411E+07, -0.67703, 2.6884, -2.3416, 0.75942}, VapCp = {16, 20857, -275.26, 12.137, 0.00070478, -0.0000002462}, LiqVis = {101, -107.9662, 6199.736, 14.5721, -0.000017552, 2}, VapVis = {102, 7.9881E-07, 0.52424, 295.54, 17281, 0}, LiqK = {16, -0.27685, 36.722, -1.0689, 0.00066056, -0.0000014048}, VapK = {102, 2189.9, 0.91222, 1.1244E+10, -5.1003E+11, 0}, Racketparam = 0, UniquacR = 3.4535, UniquacQ = 3.048, ChaoSeadAF = 0.592, ChaoSeadSP = 23750.6, ChaoSeadLV = 0.0930277);
+end TwomethylOnepropanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylThreeethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylThreeethylpentane.mo
new file mode 100644
index 0000000..1a53aeb
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylThreeethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwomethylThreeethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 236, name = "TwomethylThreeethylpentane", CAS = "609-26-7", Tc = 567, Pc = 2700000, Vc = 0.4453, Cc = 0.254, Tb = 388.81, Tm = 158.2, TT = 158.2, TP = 0.000447428, MW = 114.231, LVB = 0.15972, AF = 0.331, SP = 15140, DM = 0, SH = -1209000000.0, IGHF = -2.11208E+08, GEF = 1.87861E+07, AS = 443760, HFMP = 1.13386E+07, HOC = -5.07477E+09, LiqDen = {105, 0.54567, 0.26412, 567.03, 0.24308, 0}, VP = {101, 92.12933, -7403.468, -10.51119, 7.396006E-06, 2}, LiqCp = {16, 11076, -131.1, 12.479, 0.0013888, -7.3844E-07}, HOV = {106, 5.9697E+07, 0.73134, 0.033175, -0.91459, 0.58962}, VapCp = {16, 86476, -441, 12.894, 0.00051253, -1.9205E-07}, LiqVis = {101, -10.931, 1059.8, -0.066598, 1.3283E-07, 2}, VapVis = {102, 5.6587E-07, 0.52506, 255.1, -76.481, 0}, LiqK = {16, -0.069311, 4.0311, -1.5221, -0.00039448, -0.0000012799}, VapK = {102, 0.000026967, 1.1845, -133.92, 140280, 0}, Racketparam = 0.254, UniquacR = 5.847, UniquacQ = 4.928, ChaoSeadAF = 0.331, ChaoSeadSP = 15140, ChaoSeadLV = 0.15972);
+end TwomethylThreeethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylTwobutanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylTwobutanol.mo
new file mode 100644
index 0000000..db17c4d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylTwobutanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwomethylTwobutanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 194, name = "TwomethylTwobutanol", CAS = "75-85-4", Tc = 545, Pc = 3790000, Vc = 0.323, Cc = 0.27, Tb = 375.15, Tm = 264.35, TT = 264.35, TP = 161.196, MW = 88.15, LVB = 0.1095, AF = 0.478, SP = 20840, DM = 5.67E-30, SH = -168070000.0, IGHF = -3.297E+08, GEF = -1.652E+08, AS = 362800, HFMP = 4456000, HOC = -3.0391E+09, LiqDen = {105, 0.71131, 0.24603, 545, 0.25077, 0}, VP = {101, 111.96, -9620.4, -12.673, 0.0000022964, 2}, LiqCp = {16, 145240, -80.948, 10.283, 0.0042992, 0.0000021924}, HOV = {106, 1.022286E+08, 1.245977, -0.515176, -0.350588, 0.262112}, VapCp = {16, 74328, -529.61, 12.79, 0.000073612, -9.0525E-09}, LiqVis = {101, -783.84, 31606, 120.39, -0.00015466, 2}, VapVis = {102, 1.8945E-07, 0.71394, 173.97, -1855.4, 0}, LiqK = {16, 0.052544, -120.78, -0.20746, -0.0081579, 0.0000039201}, VapK = {102, 1156.2, 0.93842, 5.9829E+09, -1.5337E+11, 0}, Racketparam = 0.248616, UniquacR = 4.5972, UniquacQ = 4.284, ChaoSeadAF = 0.478, ChaoSeadSP = 20840, ChaoSeadLV = 0.1095);
+end TwomethylTwobutanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylTwobutene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylTwobutene.mo
new file mode 100644
index 0000000..fc800c7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylTwobutene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwomethylTwobutene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 107, name = "TwomethylTwobutene", CAS = "513-35-9", Tc = 470, Pc = 3860000, Vc = 0.292, Cc = 0.288, Tb = 311.7, Tm = 139.39, TT = 139.39, TP = 0.01937, MW = 70.134, LVB = 0.10757, AF = 0.339, SP = 15210, DM = 1.13E-30, SH = -27600000.0, IGHF = -4.18E+07, GEF = 6.045E+07, AS = 338600, HFMP = 7597700, HOC = -3.1088E+09, LiqDen = {105, 0.93623, 0.2731, 470, 0.25849, 0}, VP = {101, 82.2327, -5590.502, -9.366663, 0.0000104545, 2}, LiqCp = {16, 127040, 1071.7, -7.883, 0.075072, -0.000089164}, HOV = {106, 4.3456E+07, 0.64226, -0.070051, -0.5395, 0.35656}, VapCp = {16, 75343, -774.17, 12.975, -0.00022009, 6.0763E-08}, LiqVis = {101, -11.234, 703.42, 0.094871, -0.0000017625, 2}, VapVis = {102, 8.6256E-07, 0.47637, 263.56, -2475.7, 0}, LiqK = {16, -0.050847, 3.0532, -1.4724, -0.00063704, -0.0000020121}, VapK = {102, 0.00020806, 0.92265, 107.34, 175680, 0}, Racketparam = 0.260813, UniquacR = 3.5919, UniquacQ = 3.22, ChaoSeadAF = 0.27667, ChaoSeadSP = 15247.2, ChaoSeadLV = 0.106707);
+end TwomethylTwobutene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylTwopropanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylTwopropanol.mo
new file mode 100644
index 0000000..7bcb845
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/TwomethylTwopropanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model TwomethylTwopropanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 97, name = "TwomethylTwopropanol", CAS = "75-65-0", Tc = 506.21, Pc = 3973000, Vc = 0.275, Cc = 0.26, Tb = 355.49, Tm = 298.97, TT = 298.97, TP = 5884.28, MW = 74.123, LVB = 0.09488, AF = 0.613, SP = 21620, DM = 5.57E-30, SH = -134990000.0, IGHF = -3.124E+08, GEF = -1.776E+08, AS = 326300, HFMP = 6703000, HOC = -2.4239E+09, LiqDen = {105, 0.40838, 0.17034, 508.88, 0.1974, 0}, VP = {101, 196.8976, -12439.78, -26.03107, 0.0000198743, 2}, LiqCp = {16, -158220, -166.8, 13.168, 0.0013959, -0.0000019876}, HOV = {106, 9.49928E+07, 1.077392, -0.185452, -0.822732, 0.535399}, VapCp = {16, 65560, -540.88, 12.558, 0.00014695, -5.2324E-08}, LiqVis = {101, -933.24, 39184, 142.25, -0.0001583, 2}, VapVis = {102, 2.5934E-07, 0.64853, 136.6, 9124.5, 0}, LiqK = {16, 0.0056947, 358.71, -5.5774, 0.012913, -0.000018273}, VapK = {102, 4.2365E-07, 1.7929, -130.93, 17989, 0}, Racketparam = 0, UniquacR = 3.4528, UniquacQ = 3.128, ChaoSeadAF = 0.612, ChaoSeadSP = 21491.8, ChaoSeadLV = 0.0948614);
+end TwomethylTwopropanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylheptane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylheptane.mo
new file mode 100644
index 0000000..d74b5b8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylheptane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twomethylheptane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 226, name = "Twomethylheptane", CAS = "592-27-8", Tc = 559.6, Pc = 2480000, Vc = 0.4882, Cc = 0.26, Tb = 390.8, Tm = 164.16, TT = 164.16, TP = 0.0010587, MW = 114.231, LVB = 0.16463, AF = 0.378, SP = 15050, DM = 0, SH = -1209000000.0, IGHF = -2.154E+08, GEF = 1.18E+07, AS = 459570, HFMP = 1.1878E+07, HOC = -5.06933E+09, LiqDen = {105, 0.40246, 0.22797, 559.66, 0.23428, 0}, VP = {101, 97.9971, -7746.664, -11.37588, 8.143433E-06, 2}, LiqCp = {16, 66821, 33.207, 11.285, 0.0021902, 8.6142E-07}, HOV = {106, 6.657838E+07, 1.352117, -1.871983, 1.354613, -0.391149}, VapCp = {16, 108850, -612.4, 13.327, -0.0000091854, -2.9587E-09}, LiqVis = {101, -7.3762, 968.16, -0.65227, 0.0000018143, 2}, VapVis = {102, 4.5347E-07, 0.55194, 231.19, -1256.6, 0}, LiqK = {16, -0.00038221, 38.981, -2.075, 0.00062625, -0.0000038423}, VapK = {102, 0.000048089, 1.0964, -142.76, 170130, 0}, Racketparam = 0.26, UniquacR = 5.8478, UniquacQ = 4.932, ChaoSeadAF = 0.378, ChaoSeadSP = 15050, ChaoSeadLV = 0.16463);
+end Twomethylheptane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylhexane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylhexane.mo
new file mode 100644
index 0000000..37280aa
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylhexane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twomethylhexane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 218, name = "Twomethylhexane", CAS = "591-76-4", Tc = 530.1, Pc = 2730000, Vc = 0.421, Cc = 0.261, Tb = 363.18, Tm = 154.9, TT = 154.9, TP = 0.00429886, MW = 100.204, LVB = 0.1486, AF = 0.331, SP = 14730, DM = 0, SH = -1209000000.0, IGHF = -1.9472E+08, GEF = 3470000, AS = 420410, HFMP = 9184000, HOC = -4.45935E+09, LiqDen = {105, 0.4821, 0.23526, 530.41, 0.23824, 0}, VP = {101, 90.20617, -6876.202, -10.31895, 8.219062E-06, 2}, LiqCp = {16, 142210, 82.605, 8.5784, 0.010085, -0.000006336}, HOV = {106, 4.861947E+07, 0.640142, -0.832218, 0.945728, -0.370956}, VapCp = {16, 88324, -552.27, 13.044, 0.00017909, -6.2753E-08}, LiqVis = {101, -10.237, 971.42, -0.18335, 0.0000010057, 2}, VapVis = {102, 0.0000041509, 0.28637, 700.76, 14523, 0}, LiqK = {16, 0.060786, 305.44, -6.3461, 0.018265, -0.000033419}, VapK = {102, 0.000062491, 1.0749, -62.587, 153720, 0}, Racketparam = 0.261, UniquacR = 5.1734, UniquacQ = 4.392, ChaoSeadAF = 0.331, ChaoSeadSP = 14730, ChaoSeadLV = 0.1486);
+end Twomethylhexane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylindene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylindene.mo
new file mode 100644
index 0000000..d4fb304
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylindene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twomethylindene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 169, name = "Twomethylindene", CAS = "2177-47-1", Tc = 711, Pc = 3460000, Vc = 0.436, Cc = 0.255, Tb = 479.45, Tm = 353.15, TT = 353.15, TP = 3020.69, MW = 130.186, LVB = 0.13407, AF = 0.350814, SP = 19650, DM = 0, SH = -168070000.0, IGHF = 1.15E+08, GEF = 2.19E+08, AS = 361000, HFMP = 0, HOC = -5.21E+09, LiqDen = {105, 0.58652, 0.25339, 711, 0.28941, 0}, VP = {101, 92.273, -9299.2, -10.097, 0.0000042786, 2}, LiqCp = {16, 156160, -200.07, 10.512, 0.0025015, -0.0000010635}, HOV = {106, 7.303067E+07, 0.433923, 0.764504, -1.615634, 0.843055}, VapCp = {16, -154380, -193.88, 13.203, 0.00019348, -5.2535E-08}, LiqVis = {0, 0, 0, 0, 0, 0}, VapVis = {102, 9.6835E-07, 0.47111, 397.83, 9327.5, 0}, LiqK = {16, 0.057046, -181.52, -0.63312, -0.0038758, -8.2839E-07}, VapK = {102, 0.00009568, 1.0268, 701.49, -31051, 0}, Racketparam = 0.259776, UniquacR = 5.104812, UniquacQ = 3.552, ChaoSeadAF = 0.32769, ChaoSeadSP = 17790.3, ChaoSeadLV = 0.133656);
+end Twomethylindene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylnaphthalene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylnaphthalene.mo
new file mode 100644
index 0000000..797cf0f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylnaphthalene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twomethylnaphthalene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 175, name = "Twomethylnaphthalene", CAS = "91-57-6", Tc = 761, Pc = 3540000, Vc = 0.462, Cc = 0.258, Tb = 514.2, Tm = 307.73, TT = 307.73, TP = 18.6897, MW = 142.2, LVB = 0.14577, AF = 0.374, SP = 19680, DM = 1.4E-30, SH = -168070000.0, IGHF = 1.161E+08, GEF = 2.163E+08, AS = 380000, HFMP = 1.212E+07, HOC = -5.58286E+09, LiqDen = {105, 0.53405, 0.25024, 761.16, 0.28587, 0}, VP = {101, 98.05854, -10275.56, -10.82814, 3.919145E-06, 2}, LiqCp = {16, 74335, -307.25, 13.46, -0.0028051, 0.000003645}, HOV = {106, 9.0724E+07, 1.2004, -1.1581, 0.47852, -0.081108}, VapCp = {16, 69292, -534.4, 13.21, -0.00001663, -8.8386E-09}, LiqVis = {101, -88.346, 4977.8, 11.629, -0.0000078261, 2}, VapVis = {102, 0.0000029847, 0.34183, 891.22, -28677, 0}, LiqK = {16, 0.0084839, -307.37, 0.18174, -0.0046509, 0.0000016652}, VapK = {102, 0.000098384, 1.0234, 722.6, 42453, 0}, Racketparam = 0, UniquacR = 5.610415, UniquacQ = 3.936, ChaoSeadAF = 0.3815, ChaoSeadSP = 19870.3, ChaoSeadLV = 0.143396);
+end Twomethylnaphthalene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylnonane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylnonane.mo
new file mode 100644
index 0000000..b3b2438
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylnonane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twomethylnonane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 254, name = "Twomethylnonane", CAS = "871-83-0", Tc = 621, Pc = 2050000, Vc = 0.601, Cc = 0.244, Tb = 440.15, Tm = 198.5, TT = 198.5, TP = 0.00248675, MW = 142.282, LVB = 0.196826, AF = 0.472342, SP = 15380, DM = 0, SH = -1209000000.0, IGHF = -2.5652E+08, GEF = 2.841E+07, AS = 538020, HFMP = 1.75E+07, HOC = -6.2888E+09, LiqDen = {105, 0.2243, 0.18661, 621, 0.23259, 0}, VP = {101, 133.13, -10462, -16.388, 0.0000099287, 2}, LiqCp = {16, -52606, 80.981, 11.786, 0.0026831, -6.0448E-07}, HOV = {106, 7.023987E+07, -0.879246, 6.371272, -9.404583, 4.418702}, VapCp = {16, 137030, -599.28, 13.509, 0.0000018563, -1.0781E-08}, LiqVis = {101, -3.1519, 949.54, -1.2725, 0.0000012986, 2}, VapVis = {102, 9.2127E-07, 0.44292, 352.44, -1163.9, 0}, LiqK = {16, -0.16513, 15.121, -1.1582, -0.00011252, -0.0000008534}, VapK = {102, 0.000030641, 1.1437, -171.78, 168770, 0}, Racketparam = 0.244, UniquacR = 7.196599, UniquacQ = 6.012, ChaoSeadAF = 0.472342, ChaoSeadSP = 15380, ChaoSeadLV = 0.196826);
+end Twomethylnonane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethyloctane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethyloctane.mo
new file mode 100644
index 0000000..95f1027
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethyloctane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twomethyloctane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 246, name = "Twomethyloctane", CAS = "3221-61-2", Tc = 587, Pc = 2310000, Vc = 0.529, Cc = 0.25, Tb = 416.44, Tm = 193.05, TT = 193.05, TP = 0.0206, MW = 128.258, LVB = 0.18075, AF = 0.423, SP = 15310, DM = 0, SH = -1209000000.0, IGHF = -2.348E+08, GEF = 2.21E+07, AS = 496800, HFMP = 1.8E+07, HOC = -5.6791E+09, LiqDen = {105, 0.048725, 0.083928, 587, 0.13299, 0}, VP = {101, 117.6637, -9065.067, -14.28093, 0.0000101806, 2}, LiqCp = {16, 69326, 112.91, 10.449, 0.0058606, -0.0000035224}, HOV = {106, 6.8687E+07, 1.3406, -2.5809, 2.7985, -1.1501}, VapCp = {16, 145390, -732.92, 13.658, -0.00027343, 8.6186E-08}, LiqVis = {101, -14.31, 1234.5, 0.50422, -0.0000012054, 2}, VapVis = {102, 0.0000005318, 0.52649, 272.37, -710.16, 0}, LiqK = {16, -0.15278, 14.586, -1.1974, -0.00013887, -9.4417E-07}, VapK = {102, 0.00002892, 1.1595, -163.72, 160440, 0}, Racketparam = 0.25, UniquacR = 6.5222, UniquacQ = 5.472, ChaoSeadAF = 0.423, ChaoSeadSP = 15310, ChaoSeadLV = 0.18075);
+end Twomethyloctane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylpentane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylpentane.mo
new file mode 100644
index 0000000..0fe84f5
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylpentane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twomethylpentane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 136, name = "Twomethylpentane", CAS = "107-83-5", Tc = 497.5, Pc = 3010000, Vc = 0.3667, Cc = 0.267, Tb = 333.4, Tm = 119.55, TT = 119.55, TP = 0.0000206558, MW = 86.177, LVB = 0.13289, AF = 0.278, SP = 14400, DM = 0, SH = -168070000.0, IGHF = -1.7455E+08, GEF = -5338000, AS = 380890, HFMP = 6268000, HOC = -3.84915E+09, LiqDen = {105, 0.657, 0.25467, 497.71, 0.26808, 0}, VP = {101, 77.6873, -5802.911, -8.543267, 7.871718E-06, 2}, LiqCp = {16, 137510, -55.266, 8.2006, 0.013273, -0.00001165}, HOV = {106, 4.724E+07, 0.784961, -0.571271, 0.114935, 0.0796185}, VapCp = {16, 70761, -504.8, 12.795, 0.00029839, -9.4564E-08}, LiqVis = {101, -12.416, 938.41, 0.18259, 4.2586E-07, 2}, VapVis = {102, 0.0000020458, 0.38326, 542.64, -1147.6, 0}, LiqK = {16, -0.099248, 3.6931, -1.2881, -0.00063949, -0.0000011122}, VapK = {102, 0.000056887, 1.0953, -66.761, 139530, 0}, Racketparam = 0.2581, UniquacR = 4.499, UniquacQ = 3.852, ChaoSeadAF = 0.2791, ChaoSeadSP = 14417.6, ChaoSeadLV = 0.132931);
+end Twomethylpentane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylpropanal.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylpropanal.mo
new file mode 100644
index 0000000..62d8fc4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twomethylpropanal.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twomethylpropanal
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 82, name = "Twomethylpropanal", CAS = "78-84-2", Tc = 507, Pc = 4100000, Vc = 0.263, Cc = 0.256, Tb = 337.25, Tm = 208.15, TT = 208.15, TP = 34.8247, MW = 72.1057, LVB = 0.0920264, AF = 0.36218, SP = 18450, DM = 9.0E-30, SH = -17100000.0, IGHF = -2.158E+08, GEF = -1.214E+08, AS = 331200, HFMP = 1.2E+07, HOC = -2.2913E+09, LiqDen = {105, 0.97266, 0.25698, 507, 0.28571, 0}, VP = {101, 102.1731, -7116.016, -12.16592, 0.0000111612, 2}, LiqCp = {16, 143330, 110.87, 5.2999, 0.018869, -0.000016131}, HOV = {106, 4.95108E+07, 0.263532, 1.209662, -2.271572, 1.223299}, VapCp = {16, 68500, -741.45, 12.977, -0.00061649, 3.0243E-07}, LiqVis = {101, -10.535, 970.52, -0.049339, 1.1673E-08, 2}, VapVis = {102, 1.9586E-07, 0.71384, 159.71, -212.67, 0}, LiqK = {16, 0.10024, -223.61, -0.25771, -0.00474, -0.000011884}, VapK = {102, -2151.4, -0.21039, 974960, -5.0943E+09, 0}, Racketparam = 0, UniquacR = 3.2471, UniquacQ = 2.872, ChaoSeadAF = 0.37009, ChaoSeadSP = 18234.6, ChaoSeadLV = 0.0920137);
+end Twomethylpropanal;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twonitropropane.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twonitropropane.mo
new file mode 100644
index 0000000..6ec846a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twonitropropane.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twonitropropane
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 382, name = "Twonitropropane", CAS = "79-46-9", Tc = 595, Pc = 4450000, Vc = 0.288, Cc = 0.26, Tb = 393.4, Tm = 181.83, TT = 181.83, TP = 0.021584, MW = 89.0932, LVB = 0.0905535, AF = 0.383568, SP = 20530, DM = 1.24E-29, SH = -22600000.0, IGHF = -1.39E+08, GEF = -1.2803E+07, AS = 347700, HFMP = 7790000, HOC = -1.846E+09, LiqDen = {105, 0.27031, 0.13967, 595, 0.17588, 0}, VP = {101, 57.04038, -6262.318, -4.993807, 1.61213E-06, 2}, LiqCp = {16, 67863, 138.63, 8.8679, 0.01051, -0.00001051}, HOV = {106, 5.543435E+07, 0.377393, 0.18894, -0.0391329, -0.243258}, VapCp = {16, 58543, -558.36, 12.559, 0.000040137, -3.1383E-08}, LiqVis = {101, -26.48, 1441.6, 2.6439, -0.0000074647, 2}, VapVis = {102, 0.000005644, 0.32789, 1291.7, 6279.8, 0}, LiqK = {16, 0.085284, -50.915, -1.467, -0.0035856, -0.000001687}, VapK = {102, 0.0042281, 0.52696, 790.25, 431610, 0}, Racketparam = 0.26, UniquacR = 3.3573, UniquacQ = 2.948, ChaoSeadAF = 0.383568, ChaoSeadSP = 20530, ChaoSeadLV = 0.0905535);
+end Twonitropropane;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twopentanol.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twopentanol.mo
new file mode 100644
index 0000000..2bcbd32
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twopentanol.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twopentanol
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 342, name = "Twopentanol", CAS = "6032-29-7", Tc = 552, Pc = 3880000, Vc = 0.327, Cc = 0.26, Tb = 392.15, Tm = 200, TT = 200, TP = 0.00596587, MW = 88.1482, LVB = 0.109448, AF = 0.674371, SP = 21700, DM = 5.39E-30, SH = -216400000.0, IGHF = -3.138E+08, GEF = -1.593E+08, AS = 396400, HFMP = 8480000, HOC = -3.0515E+09, LiqDen = {105, 1.319, 0.3371, 552, 0.32218, 0}, VP = {101, 156.6278, -11701.22, -19.61134, 0.0000119964, 2}, LiqCp = {16, 223900, 2827.9, -24.806, 0.11426, -0.00010479}, HOV = {106, 8.4515E+07, 0.5603, 0.52669, -1.3675, 0.83639}, VapCp = {16, 81533, -562.17, 12.749, 0.00015514, -6.2807E-08}, LiqVis = {101, -161.5575, 9388.477, 22.02304, -0.0000121894, 2}, VapVis = {102, 3.2586E-07, 0.63457, 242.49, -572.84, 0}, LiqK = {16, -0.29342, 50.682, -1.2923, 0.0017888, -0.0000028966}, VapK = {102, 1300.2, 0.95377, 8.1158E+09, -2.9211E+11, 0}, Racketparam = 0.26, UniquacR = 4.5979, UniquacQ = 4.204, ChaoSeadAF = 0.558707, ChaoSeadSP = 21700, ChaoSeadLV = 0.109448);
+end Twopentanol;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twopentanone.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twopentanone.mo
new file mode 100644
index 0000000..ca24299
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Twopentanone.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Twopentanone
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 311, name = "Twopentanone", CAS = "107-87-9", Tc = 561.1, Pc = 3690000, Vc = 0.301, Cc = 0.238, Tb = 375.39, Tm = 196.29, TT = 196.29, TP = 0.752347, MW = 86.134, LVB = 0.10733, AF = 0.346, SP = 18290, DM = 9.07E-30, SH = -1209000000.0, IGHF = -2.592E+08, GEF = -1.384E+08, AS = 378600, HFMP = 1.062E+07, HOC = -2.88E+09, LiqDen = {105, 0.8193, 0.25958, 561.1, 0.28941, 0}, VP = {101, 92.01772, -7341.876, -10.45756, 7.61086E-06, 2}, LiqCp = {16, 119520, 155.09, 9.2758, 0.0038398, 0.0000015236}, HOV = {106, 6.074187E+07, 1.097819, -1.350154, 0.926065, -0.25017}, VapCp = {16, 86927, -727.52, 12.986, -0.00023161, 6.926E-08}, LiqVis = {101, -8.4812, 921.84, -0.40943, 6.8984E-07, 2}, VapVis = {102, 2.4641E-07, 0.66525, 208.96, -62.76, 0}, LiqK = {16, 0.010889, -36.658, -1.2206, -0.0022413, -2.5211E-07}, VapK = {102, -0.017912, 0.4825, -3887.7, -1296300, 0}, Racketparam = 0.238, UniquacR = 3.9223, UniquacQ = 3.416, ChaoSeadAF = 0.346, ChaoSeadSP = 18290, ChaoSeadLV = 0.10733);
+end Twopentanone;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Vinylacetate.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Vinylacetate.mo
new file mode 100644
index 0000000..7485d67
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Vinylacetate.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Vinylacetate
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 339, name = "Vinylacetate", CAS = "108-05-4", Tc = 501.45, Pc = 4150000, Vc = 0.266, Cc = 0.248, Tb = 345.65, Tm = 180.35, TT = 180.35, TP = 0.70586, MW = 86.0892, LVB = 0.0929486, AF = 0.529352, SP = 18580, DM = 5.97E-30, SH = -216400000.0, IGHF = -3.157E+08, GEF = -2.287E+08, AS = 334400, HFMP = 5370000, HOC = -1.95E+09, LiqDen = {105, 0.80837, 0.2388, 524.34, 0.25151, 0}, VP = {101, -28.90631, -2451.071, 8.43748, -0.000014969, 2}, LiqCp = {16, 104670, 68.241, 7.8309, 0.01301, -0.00001011}, HOV = {106, 5.178411E+07, 1.329393, -3.127105, 3.542901, -1.384803}, VapCp = {16, 50651, -432.89, 12.118, 0.00048734, -1.8964E-07}, LiqVis = {101, -20.187, 1398, 1.3362, 8.2076E-07, 2}, VapVis = {102, 1.4727E-07, 0.76076, 119.27, 67.359, 0}, LiqK = {16, -0.068153, 28.848, -1.5016, 0.00051317, -0.0000030057}, VapK = {102, -5281900, -0.16154, 2.8419E+09, -1.7045E+13, 0}, Racketparam = 0.248, UniquacR = 3.2485, UniquacQ = 2.904, ChaoSeadAF = 0.351307, ChaoSeadSP = 18580, ChaoSeadLV = 0.0929486);
+end Vinylacetate;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Vinylacetylene.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Vinylacetylene.mo
new file mode 100644
index 0000000..e84aa26
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Vinylacetylene.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Vinylacetylene
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 71, name = "Vinylacetylene", CAS = "689-97-4", Tc = 454, Pc = 4860000, Vc = 0.205, Cc = 0.264, Tb = 278.25, Tm = 0, TT = 0, TP = 0, MW = 52.0746, LVB = 0.0769826, AF = 0.106852, SP = 16360, DM = 1.3E-30, SH = 304600000.0, IGHF = 3.046E+08, GEF = 3.06E+08, AS = 279400, HFMP = 0, HOC = -2.362E+09, LiqDen = {105, 1.2594, 0.25931, 454, 0.29553, 0}, VP = {101, 79.0442, -5001.865, -8.984128, 0.0000129415, 2}, LiqCp = {16, 68382, -63.514, 9.912, 0.0031404, -1.0307E-07}, HOV = {106, 3.313507E+07, -0.0105563, 0.71867, -0.291074, 0.0215152}, VapCp = {16, 49981, -581.7, 12.052, -0.00010825, 3.173E-08}, LiqVis = {101, -2.2453, 320.68, -1.2895, -5.6512E-09, 2}, VapVis = {102, 6.7484E-07, 0.5304, 230.17, -0.0024795, 0}, LiqK = {16, -0.05887, -27.718, -0.92317, -0.0023581, 1.5773E-07}, VapK = {102, 0.000054197, 1.0632, -70.589, 90617, 0}, Racketparam = 0.281184, UniquacR = 3.526, UniquacQ = 2.94, ChaoSeadAF = 0.11815, ChaoSeadSP = 17035, ChaoSeadLV = 0.0740148);
+end Vinylacetylene;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Vinylchloride.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Vinylchloride.mo
new file mode 100644
index 0000000..54d7321
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Vinylchloride.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Vinylchloride
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 39, name = "Vinylchloride", CAS = "75-01-4", Tc = 432, Pc = 5670000, Vc = 0.179, Cc = 0.283, Tb = 259.25, Tm = 119.36, TT = 119.36, TP = 0.0191781, MW = 62.4982, LVB = 0.0692236, AF = 0.100107, SP = 15960, DM = 4.84E-30, SH = 28450000.0, IGHF = 2.845E+07, GEF = 4.195E+07, AS = 273540, HFMP = 4744000, HOC = -1.178E+09, LiqDen = {105, 1.4882, 0.26866, 432, 0.2693, 0}, VP = {101, 30.50309, -3204.111, -1.15716, -3.151817E-06, 2}, LiqCp = {16, 29928, 167.46, 5.6386, 0.023319, -0.000024747}, HOV = {106, 2.6581E+07, -2.1189, 8.303, -9.8551, 4.0685}, VapCp = {16, 39013, -667.91, 11.935, -0.00030895, 9.1245E-08}, LiqVis = {101, -3.586, 386.19, -1.1014, -9.1164E-07, 2}, VapVis = {102, 4.1288E-07, 0.63726, 118.97, 5390.5, 0}, LiqK = {16, 0.060341, 155.36, -4.6785, 0.015523, -0.000038165}, VapK = {102, -260.51, 0.58623, -1.7838E+08, -1.6691E+09, 0}, Racketparam = 0.281776, UniquacR = 1.9124, UniquacQ = 1.492, ChaoSeadAF = 0.100107, ChaoSeadSP = 17766.2, ChaoSeadLV = 0.0646597);
+end Vinylchloride;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Water.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Water.mo
new file mode 100644
index 0000000..808afd4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Water.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Water
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 14, 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, SH = 0.0, 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;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/Xenon.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Xenon.mo
new file mode 100644
index 0000000..31edeca
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/Xenon.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.ChemsepDatabase;
+
+model Xenon
+    extends Modelica.Icons.Record;
+  extends GeneralProperties(SN = 200, name = "Xenon", CAS = "7440-63-3", Tc = 289.74, Pc = 5840000, Vc = 0.118, Cc = 0.286, Tb = 165.01, Tm = 161.25, TT = 161.25, TP = 81667.9, MW = 131.29, LVB = 0.04291, AF = 0.006, SP = 15910, DM = 0, SH = 0.0, IGHF = 0, GEF = 0, AS = 169578, HFMP = 2294950, HOC = 0, LiqDen = {105, 2.4063, 0.28552, 289.74, 0.28967, 0}, VP = {101, 31.497, -1758.9, -1.8727, 0.0000091652, 2}, LiqCp = {16, 44610, -221, 1.0811, 0.026515, -0.000013257}, HOV = {106, 1.740633E+07, -0.233725, 3.148357, -4.995262, 2.477111}, VapCp = {16, 20786, 0, 0, 0, 0}, LiqVis = {101, -7.7421, -0.53776, -0.00050184, -5.2934E-08, 2}, VapVis = {102, 0.0000014055, 0.57778, 188.46, -312.26, 0}, LiqK = {16, -0.012175, 143.58, -4.2655, 0.011041, -0.000032937}, VapK = {102, 0.00026719, 0.62046, 215.6, -8144.4, 0}, Racketparam = 0.286, UniquacR = 1.13, UniquacQ = 1.13, ChaoSeadAF = 0.006, ChaoSeadSP = 15910, ChaoSeadLV = 0.04291);
+end Xenon;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/package.mo b/src/main/Simulator/Simulator/Files/ChemsepDatabase/package.mo
new file mode 100644
index 0000000..f016cc6
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/package.mo
@@ -0,0 +1,6 @@
+within Simulator.Files;
+
+package ChemsepDatabase
+  extends Modelica.Icons.RecordsPackage;
+  
+end ChemsepDatabase;
diff --git a/src/main/Simulator/Simulator/Files/ChemsepDatabase/package.order b/src/main/Simulator/Simulator/Files/ChemsepDatabase/package.order
new file mode 100644
index 0000000..8bc58b9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ChemsepDatabase/package.order
@@ -0,0 +1,432 @@
+GeneralProperties
+Air
+Argon
+Bromine
+Carbontetrachloride
+Carbonmonoxide
+Carbondioxide
+Carbondisulfide
+Phosgene
+Trichloroacetylchloride
+Hydrogenchloride
+Chlorine
+Hydrogeniodide
+Hydrogen
+Water
+Hydrogensulfide
+Ammonia
+Neon
+Nitricacid
+Nitricoxide
+Nitrogendioxide
+Nitrogen
+Nitrousoxide
+Oxygen
+Sulfurdioxide
+Sulfurtrioxide
+Chloroform
+Hydrogencyanide
+Formaldehyde
+Methylchloride
+Methyliodide
+Methane
+Methanol
+Methylamine
+Trichloroethylene
+Dichloroacetylchloride
+Trichloroacetaldehyde
+Acetylene
+Dichloroacetaldehyde
+Vinylchloride
+Acetylchloride
+OneOneTwotrichloroethane
+Acetonitrile
+Ethylene
+OneOnedichloroethane
+OneTwodichloroethane
+Acetaldehyde
+Ethyleneoxide
+Aceticacid
+Methylformate
+Ethylchloride
+Ethane
+Ethanol
+Dimethylether
+Ethyleneglycol
+Dimethylsulfide
+Ethylmercaptan
+Ethylamine
+Acrylonitrile
+Methylacetylene
+Propadiene
+Propylene
+Acetone
+Ethylformate
+Methylacetate
+Propionicacid
+Nndimethylformamide
+Propane
+Isopropanol
+Onepropanol
+Trimethylamine
+Vinylacetylene
+Thiophene
+Methacrylonitrile
+Dimethylacetylene
+Ethylacetylene
+OneTwobutadiene
+OneThreebutadiene
+Onebutene
+CisTwobutene
+TransTwobutene
+Isobutene
+Twomethylpropanal
+Methylethylketone
+Tetrahydrofuran
+OneFourdioxane
+Nbutyricacid
+Ethylacetate
+Methylpropionate
+Npropylformate
+Sulfolane
+Nndimethylacetamide
+Nbutane
+Isobutane
+Onebutanol
+TwomethylOnepropanol
+Twobutanol
+TwomethylTwopropanol
+Diethylether
+Diethyleneglycol
+Diethylamine
+Furfural
+Pyridine
+Isoprene
+Cyclopentane
+TwomethylOnebutene
+ThreemethylOnebutene
+TwomethylTwobutene
+Onepentene
+CisTwopentene
+TransTwopentene
+Threepentanone
+Methylisopropylketone
+Npropylacetate
+Isopentane
+Npentane
+Neopentane
+OneTwoFourtrichlorobenzene
+Mdichlorobenzene
+Odichlorobenzene
+Pdichlorobenzene
+Bromobenzene
+Monochlorobenzene
+Iodobenzene
+Nitrobenzene
+Benzene
+Phenol
+Aniline
+Cyclohexanone
+Cyclohexane
+Onehexene
+Methylcyclopentane
+Cyclohexanol
+TwoTwodimethylbutane
+TwoThreedimethylbutane
+Nhexane
+Twomethylpentane
+Threemethylpentane
+Triethyleneglycol
+Triethylamine
+Toluene
+Mcresol
+Ocresol
+Pcresol
+Methylcyclohexane
+Ethylcyclopentane
+Oneheptene
+Nheptane
+Styrene
+Ethylbenzene
+Mxylene
+Oxylene
+Pxylene
+Ethylcyclohexane
+Npropylcyclopentane
+Noctane
+TwoTwoThreetrimethylpentane
+TwoTwoFourtrimethylpentane
+TwoThreeThreetrimethylpentane
+TwoThreeFourtrimethylpentane
+Tetraethyleneglycol
+Indene
+Indane
+Cumene
+Npropylbenzene
+Npropylcyclohexane
+Nnonane
+Naphthalene
+Onemethylindene
+Twomethylindene
+Dicyclopentadiene
+Nbutylbenzene
+Nbutylcyclohexane
+Ndecane
+Onemethylnaphthalene
+Twomethylnaphthalene
+Nundecane
+Acenaphthene
+Biphenyl
+Ndodecane
+Fluorene
+Ntridecane
+Phenanthrene
+Ntetradecane
+Npentadecane
+Fluoranthene
+Pyrene
+Onephenylnaphthalene
+Nhexadecane
+Chrysene
+Cisdecahydronaphthalene
+Transdecahydronaphthalene
+Methyltertbutylether
+Methyltertpentylether
+TwomethylTwobutanol
+Nitrogentrioxide
+Nitrogentetroxide
+HeliumFour
+Fluorine
+Krypton
+Xenon
+Ozone
+Carbonylsulfide
+Sulfurhexafluoride
+Dimethylsulfoxide
+Nheptadecane
+Noctadecane
+Nnonadecane
+Nheneicosane
+Ndocosane
+Ntricosane
+Ntetracosane
+Npentacosane
+Nhexacosane
+Nheptacosane
+Noctacosane
+Nnonacosane
+Squalane
+Twomethylhexane
+Threemethylhexane
+Threeethylpentane
+TwoTwodimethylpentane
+TwoThreedimethylpentane
+TwoFourdimethylpentane
+ThreeThreedimethylpentane
+TwoTwoThreetrimethylbutane
+Twomethylheptane
+Threemethylheptane
+Fourmethylheptane
+Threeethylhexane
+TwoTwodimethylhexane
+TwoThreedimethylhexane
+TwoFourdimethylhexane
+TwoFivedimethylhexane
+ThreeThreedimethylhexane
+ThreeFourdimethylhexane
+TwomethylThreeethylpentane
+ThreemethylThreeethylpentane
+TwoTwoThreeThreetetramethylbutane
+TwoTwoFivetrimethylhexane
+TwoFourFourtrimethylhexane
+ThreeThreediethylpentane
+TwoTwoThreeThreetetramethylpentane
+TwoTwoThreeFourtetramethylpentane
+TwoTwoFourFourtetramethylpentane
+TwoThreeThreeFourtetramethylpentane
+Twomethyloctane
+Threemethyloctane
+Fourmethyloctane
+Threeethylheptane
+TwoTwodimethylheptane
+ThreeThreeFivetrimethylheptane
+TwoTwodimethyloctane
+Threemethylnonane
+Twomethylnonane
+Fourmethylnonane
+Fivemethylnonane
+CisTwohexene
+TransTwohexene
+Oneoctene
+Onenonene
+Oneundecene
+TwomethylOnepentene
+FourmethylcisTwopentene
+FourmethyltransTwopentene
+Cyclohexene
+OneOnedimethylcyclopentane
+CisOneTwodimethylcyclopentane
+TransOneTwodimethylcyclopentane
+CisOneThreedimethylcyclopentane
+TransOneThreedimethylcyclopentane
+Isopropylcyclopentane
+OnemethylOneethylcyclopentane
+Nbutylcyclopentane
+OneOnedimethylcyclohexane
+CisOneTwodimethylcyclohexane
+TransOneTwodimethylcyclohexane
+CisOneThreedimethylcyclohexane
+TransOneThreedimethylcyclohexane
+CisOneFourdimethylcyclohexane
+TransOneFourdimethylcyclohexane
+Tertbutylcyclohexane
+Oethyltoluene
+Methyltoluene
+Pethyltoluene
+OneTwoThreetrimethylbenzene
+OneTwoFourtrimethylbenzene
+Mesitylene
+Isobutylbenzene
+Secbutylbenzene
+Tertbutylbenzene
+Ocymene
+Mcymene
+Pcymene
+Odiethylbenzene
+Mdiethylbenzene
+Pdiethylbenzene
+OneTwoThreeFourtetramethylbenzene
+OneTwoThreeFivetetramethylbenzene
+OneTwoFourFivetetramethylbenzene
+Twoethylmxylene
+Twoethylpxylene
+Fourethylmxylene
+Fourethyloxylene
+OnemethylThreenpropylbenzene
+OnemethylFournpropylbenzene
+Pdiisopropylbenzene
+Methylisobutylketone
+Threeheptanone
+Fourheptanone
+Threehexanone
+Twopentanone
+Twohexanone
+Twoheptanone
+FivemethylTwohexanone
+ThreeThreedimethylTwobutanone
+Diisobutylketone
+Diisopropylketone
+Propanal
+Butanal
+Pentanal
+Hexanal
+Heptanal
+Diisopropylether
+Dinbutylether
+Disecbutylether
+Methylethylether
+Methylnpropylether
+Isopropylbutylether
+Methylisobutylether
+Methylisopropylether
+Tertbutylethylether
+Ethyltertpentylether
+Butylvinylether
+Anisole
+Isopropylacetate
+Nbutylacetate
+Isobutylacetate
+Npentylacetate
+Vinylacetate
+Nhexylacetate
+Onepentanol
+Twopentanol
+TwomethylOnebutanol
+TwoTwodimethylOnepropanol
+Onehexanol
+Oneheptanol
+OneFourbutanediol
+Methylmercaptan
+Npropylmercaptan
+Tertbutylmercaptan
+Isobutylmercaptan
+Secbutylmercaptan
+Nhexylmercaptan
+Methylethylsulfide
+Methylnpropylsulfide
+Methyltbutylsulfide
+Methyltpentylsulfide
+Dinpropylsulfide
+Diethylsulfide
+Diethyldisulfide
+Dimethyldisulfide
+Dinpropyldisulfide
+Ditertbutyldisulfide
+Ethylmethyldisulfide
+Ethylpropyldisulfide
+Diphenyldisulfide
+Monoethanolamine
+Diethanolamine
+Triethanolamine
+Ethylenediamine
+Diisopropylamine
+Naminoethylpiperazine
+Diethylenetriamine
+Naminoethylethanolamine
+Pphenylenediamine
+Piperazine
+Methylethanolamine
+Dimethylethanolamine
+Nitromethane
+Nitroethane
+Onenitropropane
+Twonitropropane
+Onenitrobutane
+Onitrotoluene
+Pnitrotoluene
+Mnitrotoluene
+TwoFourdinitrotoluene
+Two6dinitrotoluene
+ThreeFourdinitrotoluene
+TwoFivedinitrotoluene
+ThreeFivedinitrotoluene
+TwoFour6trinitrotoluene
+Oxalicacid
+Acrylicacid
+Methacrylicacid
+Benzoicacid
+Otoluicacid
+Ptoluicacid
+Salicylicacid
+Adipicacid
+Phthalicacid
+Maleicacid
+Terephthalicacid
+Aceticanhydride
+Maleicanhydride
+Ketene
+Methylmethacrylate
+Dimethylterephthalate
+OneTwopropyleneoxide
+Cumenehydroperoxide
+Propionitrile
+Dimethylcarbonate
+DiEthylCarbonate
+MethylEthylCarbonate
+MethylPhenylCarbonate
+EthylPhenylCarbonate
+DiPhenylCarbonate
+Ethylenecarbonate
+Propylenecarbonate
+TwomethylOneheptene
+TwoMethoxyTwoMethylHeptane
+TwoMethylTwoHeptanol
+Methylal
+MethylDiEthanolAmine
+Diethylethanolamine
+Diisopropanolamine
+Cyclobutane
+Isopropylmercaptan
+Glycerol
+Neicosane
+DiButylCarbonate
diff --git a/src/main/Simulator/Simulator/Files/Icons/AbsorptionColumn.mo b/src/main/Simulator/Simulator/Files/Icons/AbsorptionColumn.mo
new file mode 100644
index 0000000..8ff36c1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/AbsorptionColumn.mo
@@ -0,0 +1,9 @@
+within Simulator.Files.Icons;
+
+model AbsorptionColumn
+equation
+
+annotation(
+    Icon(coordinateSystem(extent = {{-250, -450}, {250, 450}}, initialScale = 0.1), graphics = {Line(points = {{-90, 400}, {-90, -400}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{90, 400}, {90, -400}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-90, 400}, {-30, 440}, {30, 440}, {90, 400}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Line(rotation = 180, points = {{-90, 400}, {-30, 440}, {30, 440}, {90, 400}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Line(points = {{-90, 250}, {10, 250}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-10, 167}, {90, 167}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-90, 83}, {10, 83}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-10, 0}, {90, 0}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-90, -84}, {10, -84}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-10, -167}, {90, -167}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-90, -250}, {10, -250}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-250, 300}, {-90, 300}}, color = {0, 70, 70}, thickness = 0.3), Line(rotation = 180, points = {{-250, 300}, {-90, 300}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{90, 300}, {250, 300}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-250, -300}, {-90, -300}}, color = {0, 70, 70}, thickness = 0.3), Text(extent = {{-500, -460}, {500, -520}}, textString = "%name", fontSize = 50)}),
+    Diagram(coordinateSystem(extent = {{-250, -450}, {250, 450}})),
+    __OpenModelica_commandLineOptions = "");end AbsorptionColumn;
diff --git a/src/main/Simulator/Simulator/Files/Icons/AdiabaticCompressor.mo b/src/main/Simulator/Simulator/Files/Icons/AdiabaticCompressor.mo
new file mode 100644
index 0000000..2434329
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/AdiabaticCompressor.mo
@@ -0,0 +1,7 @@
+within Simulator.Files.Icons;
+
+model AdiabaticCompressor
+equation
+
+annotation(
+    Icon(graphics = {Polygon(lineColor = {0, 70, 70},lineThickness = 0.3, points = {{-100, 80}, {100, 50}, {100, -50}, {-100, -80}, {-100, 80}}), Text(extent = {{-500, -100}, {500, -160}}, textString = "%name", fontSize = 50)}, coordinateSystem(initialScale = 0.1)));end AdiabaticCompressor;
diff --git a/src/main/Simulator/Simulator/Files/Icons/AdiabaticExpander.mo b/src/main/Simulator/Simulator/Files/Icons/AdiabaticExpander.mo
new file mode 100644
index 0000000..7726886
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/AdiabaticExpander.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.Icons;
+
+model AdiabaticExpander
+  annotation(
+    Icon(graphics = {Polygon(lineColor = {0, 70, 70}, lineThickness = 0.3, points = {{-100, 50}, {100, 80}, {100, -80}, {-100, -50}, {-100, 50}}), Text(extent = {{-500, -100}, {500, -160}}, textString = "%name", fontSize = 50)}, coordinateSystem(initialScale = 0.1)));
+end AdiabaticExpander;
diff --git a/src/main/Simulator/Simulator/Files/Icons/CentrifugalPump.mo b/src/main/Simulator/Simulator/Files/Icons/CentrifugalPump.mo
new file mode 100644
index 0000000..6e69c4b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/CentrifugalPump.mo
@@ -0,0 +1,7 @@
+within Simulator.Files.Icons;
+
+model CentrifugalPump
+equation
+
+annotation(
+    Icon(graphics = {Ellipse(origin = {0, 15}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-85, 85}, {85, -85}}, endAngle = 360), Line(origin = {-66, -60}, points = {{0, 0}, {0, 0}}), Line(points = {{0, 100}, {100, 100}}, color = {0, 70, 70}, thickness = 0.3), Rectangle(lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-90, -80}, {90, -100}}), Line(points = {{-100, 15}, {0, 15}}, color = {0, 70, 70}, thickness = 0.3), Text(extent = {{-500, -120}, {500, -180}}, textString = "%name", fontSize = 50)}, coordinateSystem(initialScale = 0.1)));end CentrifugalPump;
diff --git a/src/main/Simulator/Simulator/Files/Icons/CompoundSeparator.mo b/src/main/Simulator/Simulator/Files/Icons/CompoundSeparator.mo
new file mode 100644
index 0000000..03ad944
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/CompoundSeparator.mo
@@ -0,0 +1,9 @@
+within Simulator.Files.Icons;
+
+model CompoundSeparator
+equation
+
+annotation(
+    
+    Icon(coordinateSystem(extent = {{-100, -200}, {100, 200}}, initialScale = 0.1), graphics = {Line(origin = {-100, 0}, points = {{0, 120}, {0, -120}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, 120}, {0, -120}}, color = {0, 70, 70}, thickness = 0.3), Rectangle(origin = {0, 125}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-120, 5}, {120, -5}}), Rectangle(origin = {0, -125}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-120, 5}, {120, -5}}), Text(extent = {{-500, -220}, {500, -280}}, textString = "%name", fontSize = 50), Line(origin = {-100, 0}, points = {{0, 130}, {0, 150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, 130}, {0, 150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {-100, 0}, points = {{0, -130}, {0, -150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, -130}, {0, -150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {0, 150}, points = {{-100, 0}, {-85, 20}, {-40, 40}, {40, 40}, {85, 20}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Line(origin = {0, -150}, rotation = 180, points = {{-100, 0}, {-85, 20}, {-40, 40}, {40, 40}, {85, 20}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier)}),
+    __OpenModelica_commandLineOptions = "");end CompoundSeparator;
diff --git a/src/main/Simulator/Simulator/Files/Icons/ConversionReactor.mo b/src/main/Simulator/Simulator/Files/Icons/ConversionReactor.mo
new file mode 100644
index 0000000..af09bc7
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/ConversionReactor.mo
@@ -0,0 +1,9 @@
+within Simulator.Files.Icons;
+
+model ConversionReactor
+equation
+annotation(
+    Icon(coordinateSystem(extent = {{-100, -200}, {100, 200}}), graphics = {Line(points = {{-100, 120}, {-100, -120}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, 120}, {0, -120}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {0, 150}, points = {{-100, 0}, {-85, 20}, {-40, 40}, {40, 40}, {85, 20}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Rectangle(origin = {0, 125}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-120, 5}, {120, -5}}), Rectangle(origin = {0, -125}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-120, 5}, {120, -5}}), Text(extent = {{-500, -220}, {500, -280}}, textString = "%name", fontSize = 50), Line(origin = {0, 80}, points = {{-100, 0}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{100, -80}, {33.3, 80}, {-33.3, -80}, {-100, 80}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {-2, 1.58}, points = {{-100, -80}, {-33.3, 80}, {33.3, -80}, {100, 80}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {-100, 0}, points = {{0, 130}, {0, 150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, 130}, {0, 150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {-100, 0}, points = {{0, -130}, {0, -150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, -130}, {0, -150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {0, -150}, rotation = 180, points = {{-100, 0}, {-85, 20}, {-40, 40}, {40, 40}, {85, 20}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Line(origin = {0, -80}, points = {{-100, 0}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3)}),
+    __OpenModelica_commandLineOptions = "",
+    Diagram(coordinateSystem(extent = {{-100, -200}, {100, 200}})));
+end ConversionReactor;
diff --git a/src/main/Simulator/Simulator/Files/Icons/Cooler.mo b/src/main/Simulator/Simulator/Files/Icons/Cooler.mo
new file mode 100644
index 0000000..0a3f93d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/Cooler.mo
@@ -0,0 +1,7 @@
+within Simulator.Files.Icons;
+
+model Cooler
+equation
+
+annotation(
+    Icon(graphics = {Ellipse(origin = {-1, 2}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-100, 100}, {100, -100}}, endAngle = 360), Line(origin = {-1.21, 0.36}, points = {{-100, 100}, {100, -100}}, color = {255, 0, 0}, thickness = 0.3), Line(origin = {90, -90}, points = {{10, 10}, {10, -10}, {-10, -10}}, color = {255, 0, 0}, thickness = 0.3), Text(origin = {-3, -5}, lineColor = {0, 70, 70}, extent = {{-50, 50}, {50, -50}}, textString = "C", textStyle = {TextStyle.Bold}), Text(extent = {{-500, -120}, {500, -180}}, textString = "%name", fontSize = 50)}, coordinateSystem(initialScale = 0.1)));end Cooler;
diff --git a/src/main/Simulator/Simulator/Files/Icons/DistillationColumn.mo b/src/main/Simulator/Simulator/Files/Icons/DistillationColumn.mo
new file mode 100644
index 0000000..ee515ca
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/DistillationColumn.mo
@@ -0,0 +1,8 @@
+within Simulator.Files.Icons;
+
+model DistillationColumn
+  annotation(
+    Icon(coordinateSystem(extent = {{-250, -600}, {250, 600}}, initialScale = 0.1), graphics = {Line(points = {{-250, 400}, {-250, -400}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-70, 400}, {-70, -400}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-250, 400}, {-190, 440}, {-130, 440}, {-70, 400}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Ellipse(origin = {150, 505}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-100, 100}, {100, -100}}, endAngle = 360), Ellipse(origin = {150, -503}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-100, 100}, {100, -100}}, endAngle = 360), Line(points = {{50, 500}, {-160, 500}, {-160, 440}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-70, 300}, {250, 300}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{150, 400}, {150, 300}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{50, -500}, {-160, -500}, {-160, -440}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{150, -300}, {150, -400}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{250, -300}, {-70, -300}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{50, -400}, {250, -600}}, color = {255, 0, 0}, thickness = 0.3), Line(points = {{50, 400}, {250, 600}}, color = {255, 0, 0}, thickness = 0.3), Line(points = {{230, 600}, {250, 600}, {250, 580}}, color = {255, 0, 0}, thickness = 0.3), Line(points = {{70, -400}, {50, -400}, {50, -420}}, color = {255, 0, 0}, thickness = 0.3), Line(points = {{-250, 250}, {-150, 250}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-250, 83}, {-150, 83}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-250, -84}, {-150, -84}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-250, -250}, {-150, -250}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-170, 167}, {-70, 167}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-170, 0}, {-70, 0}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-170, -167}, {-70, -167}}, color = {0, 70, 70}, thickness = 0.3), Text(extent = {{-500, -620}, {500, -680}}, textString = "%name", fontSize = 50), Line(points = {{-250, -400}, {-190, -440}, {-130, -440}, {-70, -400}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier)}),
+    Diagram(coordinateSystem(extent = {{-250, -600}, {250, 600}})),
+    __OpenModelica_commandLineOptions = "");
+end DistillationColumn;
diff --git a/src/main/Simulator/Simulator/Files/Icons/EnergyStream.mo b/src/main/Simulator/Simulator/Files/Icons/EnergyStream.mo
new file mode 100644
index 0000000..fa45906
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/EnergyStream.mo
@@ -0,0 +1,8 @@
+within Simulator.Files.Icons;
+
+model EnergyStream
+annotation(
+    Icon(coordinateSystem(initialScale = 0.1), graphics = {Line(points = {{-100, 0}, {100, 0}}, color = {255, 0, 0}, thickness = 0.3), Line(points = {{80, 20}, {100, 0}, {80, -20}}, color = {255, 0, 0}, thickness = 0.3), Text(extent = {{-500, -40}, {500, -100}}, textString = "%name", fontSize = 50)}));
+
+
+end EnergyStream;
diff --git a/src/main/Simulator/Simulator/Files/Icons/EquilibriumReactor.mo b/src/main/Simulator/Simulator/Files/Icons/EquilibriumReactor.mo
new file mode 100644
index 0000000..9aa9a0e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/EquilibriumReactor.mo
@@ -0,0 +1,10 @@
+within Simulator.Files.Icons;
+
+model EquilibriumReactor
+equation
+
+annotation(
+    Icon(coordinateSystem(extent = {{-100, -200}, {100, 200}}), graphics = {Line(points = {{-100, 120}, {-100, -120}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, 120}, {0, -120}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {0, 150}, points = {{-100, 0}, {-85, 20}, {-40, 40}, {40, 40}, {85, 20}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Rectangle(origin = {0, 125}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-120, 5}, {120, -5}}), Rectangle(origin = {0, -125}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-120, 5}, {120, -5}}), Text(extent = {{-500, -220}, {500, -280}}, textString = "%name", fontSize = 50), Line(origin = {0, 80}, points = {{-100, 0}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{100, -80}, {33.3, 80}, {-33.3, -80}, {-100, 80}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {-2, 1.58}, points = {{-100, -80}, {-33.3, 80}, {33.3, -80}, {100, 80}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {-100, 0}, points = {{0, 130}, {0, 150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, 130}, {0, 150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {-100, 0}, points = {{0, -130}, {0, -150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, -130}, {0, -150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {0, -150}, rotation = 180, points = {{-100, 0}, {-85, 20}, {-40, 40}, {40, 40}, {85, 20}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Line(origin = {0, -80}, points = {{-100, 0}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3)}),
+    __OpenModelica_commandLineOptions = "",
+    Diagram(coordinateSystem(extent = {{-100, -200}, {100, 200}})));
+end EquilibriumReactor;
diff --git a/src/main/Simulator/Simulator/Files/Icons/Flash.mo b/src/main/Simulator/Simulator/Files/Icons/Flash.mo
new file mode 100644
index 0000000..eeb3f0f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/Flash.mo
@@ -0,0 +1,8 @@
+within Simulator.Files.Icons;
+
+model Flash
+annotation(
+     Icon(coordinateSystem(extent = {{-100, -200}, {100, 200}}, initialScale = 0.1), graphics = {Line(origin = {-100, 0}, points = {{0, 120}, {0, -120}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, 120}, {0, -120}}, color = {0, 70, 70}, thickness = 0.3), Rectangle(origin = {0, 125}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-120, 5}, {120, -5}}), Rectangle(origin = {0, -125}, lineColor = {0, 70, 70}, lineThickness = 0.3, extent = {{-120, 5}, {120, -5}}), Text(extent = {{-500, -220}, {500, -280}}, textString = "%name", fontSize = 50), Line(origin = {-100, 0}, points = {{0, 130}, {0, 150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, 130}, {0, 150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {-100, 0}, points = {{0, -130}, {0, -150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {100, 0}, points = {{0, -130}, {0, -150}}, color = {0, 70, 70}, thickness = 0.3), Line(origin = {0, 150}, points = {{-100, 0}, {-85, 20}, {-40, 40}, {40, 40}, {85, 20}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Line(origin = {0, -150}, rotation = 180, points = {{-100, 0}, {-85, 20}, {-40, 40}, {40, 40}, {85, 20}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Line(points = {{-100, 0}, {-87.5, -20}, {-62.5, 20}, {-37.5, -20}, {-12.5, 20}, {12.5, -20}, {37.5, 20}, {62.5, -20}, {87.5, 20}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier)}),
+   
+    __OpenModelica_commandLineOptions = "");
+end Flash;
diff --git a/src/main/Simulator/Simulator/Files/Icons/HeatExchanger.mo b/src/main/Simulator/Simulator/Files/Icons/HeatExchanger.mo
new file mode 100644
index 0000000..e0287ce
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/HeatExchanger.mo
@@ -0,0 +1,6 @@
+within Simulator.Files.Icons;
+
+model HeatExchanger
+  annotation(
+    Icon(graphics = {Ellipse(lineColor = {0, 70, 70}, lineThickness = 0.3,extent = {{-100, 100}, {100, -100}}, endAngle = 360), Line(points = {{-100, 0}, {-35, 30}, {35, -30}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3), Text(extent = {{-500, -120}, {500, -180}}, textString = "%name", fontSize = 50)}, coordinateSystem(initialScale = 0.1)));
+end HeatExchanger;
diff --git a/src/main/Simulator/Simulator/Files/Icons/Heater.mo b/src/main/Simulator/Simulator/Files/Icons/Heater.mo
new file mode 100644
index 0000000..fb4cd17
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/Heater.mo
@@ -0,0 +1,7 @@
+within Simulator.Files.Icons;
+
+model Heater
+  annotation(
+    Diagram,
+    Icon(graphics = {Ellipse(lineColor = {0, 70, 70}, lineThickness = 0.3,extent = {{-100, 100}, {100, -100}}, endAngle = 360), Line(points = {{-100, -100}, {100, 100}}, color = {255, 0, 0}, thickness = 0.3), Line(origin = {90, 90}, points = {{-10, 10}, {10, 10}, {10, -10}}, color = {255, 0, 0}, thickness = 0.3), Text(lineColor = {0, 70, 70},extent = {{-50, 50}, {50, -50}}, textString = "H", textStyle = {TextStyle.Bold}), Text( extent = {{-500, -120}, {500, -180}}, textString = "%name", fontSize = 50)}, coordinateSystem(initialScale = 0.1)));
+end Heater;
diff --git a/src/main/Simulator/Simulator/Files/Icons/MaterialStream.mo b/src/main/Simulator/Simulator/Files/Icons/MaterialStream.mo
new file mode 100644
index 0000000..84e2d16
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/MaterialStream.mo
@@ -0,0 +1,8 @@
+within Simulator.Files.Icons;
+
+model MaterialStream
+
+annotation(
+    Icon(coordinateSystem(initialScale = 0.1), graphics = {Line(points = {{-100, 0}, {100, 0}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{80, 20}, {100, 0}, {80, -20}}, color = {0, 70, 70}, thickness = 0.3), Text(extent = {{-500, -40}, {500, -100}}, textString = "%name", fontSize = 50)}));
+
+end MaterialStream;
diff --git a/src/main/Simulator/Simulator/Files/Icons/Mixer.mo b/src/main/Simulator/Simulator/Files/Icons/Mixer.mo
new file mode 100644
index 0000000..a135f1a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/Mixer.mo
@@ -0,0 +1,7 @@
+within Simulator.Files.Icons;
+
+model Mixer
+
+  annotation(
+    Icon(coordinateSystem(initialScale = 0.1), graphics = {Polygon(origin = {-1, 1}, lineColor = {0, 70, 70}, fillColor = {19, 224, 255}, lineThickness = 0.3, points = {{-100, 100}, {0, 100}, {100, 0}, {0, -100}, {-100, -100}, {-100, 100}}), Text( extent = {{-500, -120}, {500, -180}}, textString = "%name", fontSize = 50)}));
+end Mixer;
diff --git a/src/main/Simulator/Simulator/Files/Icons/PFR.mo b/src/main/Simulator/Simulator/Files/Icons/PFR.mo
new file mode 100644
index 0000000..dd799e8
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/PFR.mo
@@ -0,0 +1,9 @@
+within Simulator.Files.Icons;
+
+model PFR
+equation
+
+annotation(
+    Icon(coordinateSystem(extent = {{-350, -100}, {350, 100}}, initialScale = 0.1), graphics = {Line(points = {{-320, 70}, {320, 70}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-320, -70}, {320, -70}}, color = {0, 70, 70}, thickness = 0.3), Text(extent = {{-500, -90}, {500, -150}}, textString = "%name", fontSize = 50), Line(points = {{-250, 70}, {-250, -70}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{250, 70}, {250, -70}}, color = {0, 70, 70}, thickness = 0.3), Line(points = {{-320, 70}, {-350, 30}, {-350, -30}, {-320, -70}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Line(rotation = 180, points = {{-320, 70}, {-350, 30}, {-350, -30}, {-320, -70}}, color = {0, 70, 70}, thickness = 0.3, smooth = Smooth.Bezier), Line(points = {{-250, 70}, {-200, -70}, {-150, 70}, {-100, -70}, {-50, 70}, {0, -70}, {50, 70}, {100, -70}, {150, 70}, {200, -70}, {250, 70}}, color = {0, 70, 70}, thickness = 0.3), Line(rotation = 180, points = {{-250, 70}, {-200, -70}, {-150, 70}, {-100, -70}, {-50, 70}, {0, -70}, {50, 70}, {100, -70}, {150, 70}, {200, -70}, {250, 70}}, color = {0, 70, 70}, thickness = 0.3)}),
+    Diagram(coordinateSystem(extent = {{-350, -100}, {350, 100}})),
+    __OpenModelica_commandLineOptions = "");end PFR;
diff --git a/src/main/Simulator/Simulator/Files/Icons/Splitter.mo b/src/main/Simulator/Simulator/Files/Icons/Splitter.mo
new file mode 100644
index 0000000..1f409be
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/Splitter.mo
@@ -0,0 +1,7 @@
+within Simulator.Files.Icons;
+
+model Splitter
+
+annotation(
+    Icon(coordinateSystem(initialScale = 0.1), graphics = {Polygon(origin = {-1, 1}, rotation = 180, lineColor = {0, 70, 70}, fillColor = {19, 224, 255}, lineThickness = 0.3, points = {{-100, 100}, {0, 100}, {100, 0}, {0, -100}, {-100, -100}, {-100, 100}}), Text(extent = {{-500, -120}, {500, -180}}, textString = "%name", fontSize = 50)}));
+end Splitter;
diff --git a/src/main/Simulator/Simulator/Files/Icons/Valve.mo b/src/main/Simulator/Simulator/Files/Icons/Valve.mo
new file mode 100644
index 0000000..a1404bd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/Valve.mo
@@ -0,0 +1,7 @@
+within Simulator.Files.Icons;
+
+model Valve
+equation
+
+annotation(
+    Icon(graphics = {Polygon(origin = {0, -4}, lineColor = {0, 70, 70}, lineThickness = 0.3, points = {{-100, 66}, {-100, -66}, {100, 66}, {100, -66}, {-100, 66}}), Text(extent = {{-500, -86}, {500, -146}}, textString = "%name", fontSize = 50)}, coordinateSystem(initialScale = 0.1)));end Valve;
diff --git a/src/main/Simulator/Simulator/Files/Icons/package.mo b/src/main/Simulator/Simulator/Files/Icons/package.mo
new file mode 100644
index 0000000..2c5dd43
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/package.mo
@@ -0,0 +1,5 @@
+within Simulator.Files;
+  
+package Icons
+  extends Modelica.Icons.IconsPackage;
+end Icons;
diff --git a/src/main/Simulator/Simulator/Files/Icons/package.order b/src/main/Simulator/Simulator/Files/Icons/package.order
new file mode 100644
index 0000000..e8b8983
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Icons/package.order
@@ -0,0 +1,18 @@
+Mixer
+Heater
+Cooler
+Valve
+Splitter
+Flash
+PFR
+HeatExchanger
+CompoundSeparator
+CentrifugalPump
+AdiabaticCompressor
+AdiabaticExpander
+ConversionReactor
+EquilibriumReactor
+DistillationColumn
+AbsorptionColumn
+MaterialStream
+EnergyStream
diff --git a/src/main/Simulator/Simulator/Files/Interfaces/enConn.mo b/src/main/Simulator/Simulator/Files/Interfaces/enConn.mo
new file mode 100644
index 0000000..68180e1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Interfaces/enConn.mo
@@ -0,0 +1,7 @@
+within Simulator.Files.Interfaces;
+
+connector enConn
+  Real Q;
+  annotation(
+    Icon(coordinateSystem(initialScale = 0.1), graphics = {Rectangle(lineColor = {255, 0, 0}, fillColor = {255, 0, 0}, fillPattern = FillPattern.Solid, extent = {{-50, 50}, {50, -50}})}));
+end enConn;
diff --git a/src/main/Simulator/Simulator/Files/Interfaces/matConn.mo b/src/main/Simulator/Simulator/Files/Interfaces/matConn.mo
new file mode 100644
index 0000000..ae96650
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Interfaces/matConn.mo
@@ -0,0 +1,8 @@
+within Simulator.Files.Interfaces;
+
+connector matConn
+ Real P, T, F, H, S,x_pc[3, Nc], xvap;
+    parameter Integer Nc;
+  annotation(
+    Icon(coordinateSystem(initialScale = 0.1), graphics = {Rectangle(lineColor = {0, 70, 70}, fillColor = {0, 70, 70}, fillPattern = FillPattern.Solid, extent = {{-50, 50}, {50, -50}})}));
+end matConn;
diff --git a/src/main/Simulator/Simulator/Files/Interfaces/package.mo b/src/main/Simulator/Simulator/Files/Interfaces/package.mo
new file mode 100644
index 0000000..43fbbd9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Interfaces/package.mo
@@ -0,0 +1,5 @@
+within Simulator.Files;
+
+package Interfaces
+  extends Modelica.Icons.InterfacesPackage;
+end Interfaces;
diff --git a/src/main/Simulator/Simulator/Files/Interfaces/package.order b/src/main/Simulator/Simulator/Files/Interfaces/package.order
new file mode 100644
index 0000000..ed3ffc4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Interfaces/package.order
@@ -0,0 +1,3 @@
+matConn
+enConn
+trayConn
diff --git a/src/main/Simulator/Simulator/Files/Interfaces/trayConn.mo b/src/main/Simulator/Simulator/Files/Interfaces/trayConn.mo
new file mode 100644
index 0000000..54df149
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Interfaces/trayConn.mo
@@ -0,0 +1,8 @@
+within Simulator.Files.Interfaces;
+
+connector trayConn
+   Real F, H, x_c[Nc];
+    parameter Integer Nc;
+  annotation(
+    Icon(coordinateSystem(initialScale = 0.1), graphics = {Rectangle(fillColor = {8, 184, 211}, fillPattern = FillPattern.Solid, extent = {{-50, 50}, {50, -50}})}));
+end trayConn;
diff --git a/src/main/Simulator/Simulator/Files/Models/Flash.mo b/src/main/Simulator/Simulator/Files/Models/Flash.mo
new file mode 100644
index 0000000..c548260
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/Flash.mo
@@ -0,0 +1,68 @@
+within Simulator.Files.Models;
+
+ model Flash
+    //this is basic flash model.  comp and Nc has to be defined in model. thermodyanamic model must also be extended along with this model for K value.
+    import Simulator.Files.*;
+    Real F_p[3](each min = 0, start = {Fg,Fliqg,Fvapg});
+    Real x_pc[3, Nc](each min = 0, each max = 1, start={xguess,xg,yg});
+    Real Cp_pc[3, Nc], H_pc[3, Nc], S_pc[3, Nc], Cp_p[3], H_p[3], S_p[3];
+    Real xliq(min = 0, max = 1, start = xliqg);
+    Real xvap(min = 0, max = 1, start = xvapg);
+    Real P(min = 0, start = Pg);
+    Real T(min = 0, start = Tg);
+    Real Pbubl(start = Pmin, min = 0)"Bubble point pressure";
+    Real Pdew(start = Pmax, min = 0)"dew point pressure";
+  
+  extends GuessModels.InitialGuess;
+  
+  equation
+//Mole Balance
+    F_p[1] = F_p[2] + F_p[3];
+    x_pc[1, :] .* F_p[1] = x_pc[2, :] .* F_p[2] + x_pc[3, :] .* F_p[3];
+
+  //Bubble point calculation
+    Pbubl = sum(gmabubl_c[:] .* x_pc[1, :] .* exp(C[:].VP[2] + C[:].VP[3] / T + C[:].VP[4] * log(T) + C[:].VP[5] .* T .^ C[:].VP[6]) ./ philiqbubl_c[:]);
+  //Dew point calculation
+    Pdew = 1 / sum(x_pc[1, :] ./ (gmadew_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / T + C[:].VP[4] * log(T) + C[:].VP[5] .* T .^ C[:].VP[6])) .* phivapdew_c[:]);
+    if P >= Pbubl then
+      x_pc[3, :] = zeros(Nc);
+  //    sum(x_pc[2, :]) = 1;
+      F_p[3] = 0;
+    elseif P >= Pdew then
+    //VLE region
+      for i in 1:Nc loop
+  //      x_pc[3, i] = K[i] * x_pc[2, i];
+        x_pc[2, i] = x_pc[1, i] ./ (1 + xvap * (K_c[i] - 1));
+      end for;
+      sum(x_pc[2, :]) = 1;
+    //sum y = 1
+    else
+    //above dew point region
+      x_pc[2, :] = zeros(Nc);
+  //    sum(x_pc[3, :]) = 1;
+      F_p[2] = 0;
+    end if;
+  //Energy Balance
+    for i in 1:Nc loop
+//Specific Heat and Enthalpy calculation
+      Cp_pc[2, i] = ThermodynamicFunctions.LiqCpId(C[i].LiqCp, T);
+      Cp_pc[3, i] = ThermodynamicFunctions.VapCpId(C[i].VapCp, T);
+      H_pc[2, i] = ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+      H_pc[3, i] = ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+      (S_pc[2, i], S_pc[3, i]) = ThermodynamicFunctions.SId(C[i].VapCp, C[i].HOV, C[i].Tb, C[i].Tc, T, P, x_pc[2, i], x_pc[3, i]);
+    end for;
+    for i in 2:3 loop
+      Cp_p[i] = sum(x_pc[i, :] .* Cp_pc[i, :]) + Cpres_p[i];
+      H_p[i] = sum(x_pc[i, :] .* H_pc[i, :]) + Hres_p[i];
+      S_p[i] = sum(x_pc[i, :] .* S_pc[i, :]) + Sres_p[i];
+    end for;
+    Cp_p[1] = xliq * Cp_p[2] + xvap * Cp_p[3];
+    Cp_pc[1, :] = x_pc[1, :] .* Cp_p[1];
+    H_p[1] = xliq * H_p[2] + xvap * H_p[3];
+    H_pc[1, :] = x_pc[1, :] .* H_p[1];
+    S_p[1] = xliq * S_p[2] + xvap * S_p[3];
+    S_pc[1, :] = x_pc[1, :] * S_p[1];
+//phase molar fractions
+    xliq = F_p[2] / F_p[1];
+    xvap = F_p[3] / F_p[1];
+  end Flash;
diff --git a/src/main/Simulator/Simulator/Files/Models/ReactionManager/Arhenious.mo b/src/main/Simulator/Simulator/Files/Models/ReactionManager/Arhenious.mo
new file mode 100644
index 0000000..f804474
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/ReactionManager/Arhenious.mo
@@ -0,0 +1,18 @@
+within Simulator.Files.Models.ReactionManager;
+
+    function Arhenious
+      extends Modelica.Icons.Function;
+    // Reaction rate constant k = A*exp(-E/RT)
+      input Integer Nr ;    
+      input Real Af_r "To calulate reaction rate for forward reaction (Arrhenius constants of forward reaction)";
+      input Real Ef_r "To calculate reaction rate for forward reaction";
+      input Real T;
+      
+      output Real kf_r "reaction rate constants for forward reaction";
+      
+    algorithm
+     
+      kf_r := Af_r .* exp(-Ef_r/(8.314*T));
+    
+      
+    end Arhenious;
diff --git a/src/main/Simulator/Simulator/Files/Models/ReactionManager/BaseCalc.mo b/src/main/Simulator/Simulator/Files/Models/ReactionManager/BaseCalc.mo
new file mode 100644
index 0000000..1f91147
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/ReactionManager/BaseCalc.mo
@@ -0,0 +1,41 @@
+within Simulator.Files.Models.ReactionManager;
+
+function BaseCalc
+//This function is used to detect the base component of the stream
+extends Modelica.Icons.Function;
+input Integer Nc"Numner of components";
+input Real F[Nc]"Stream flow rate";
+input Real Sc[Nc]"Stoichiometric coefficient of the model";
+output Integer N"Component index of the result check";
+
+protected
+Real v1;
+Real v2;
+
+algorithm
+
+for i in 1:Nc loop
+ if Sc[i]<0 then
+ N:=i;
+ break;
+ else
+ i:=i;
+ end if;
+end for;
+
+v1:=F[N]/abs(Sc[N]);
+ 
+for i in 1:Nc loop
+if Sc[i]<0 then
+ v2:=F[i]/abs(Sc[i]);
+if v2<v1 then
+ N:=i;
+ v1:=v2;
+ else
+ i:=i;
+ end if;
+ else
+  i:=i;
+  end if;
+  end for;
+end BaseCalc;
diff --git a/src/main/Simulator/Simulator/Files/Models/ReactionManager/ConversionReaction.mo b/src/main/Simulator/Simulator/Files/Models/ReactionManager/ConversionReaction.mo
new file mode 100644
index 0000000..da47d98
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/ReactionManager/ConversionReaction.mo
@@ -0,0 +1,29 @@
+within Simulator.Files.Models.ReactionManager;
+
+  model ConversionReaction
+  //===================================================================================================
+  import Simulator.Files.*;
+  import data = Simulator.Files.Chemsep_Database;
+    //Number of Reactions involved in the process
+  parameter Integer Nr;
+
+  parameter Integer BC_r[Nr] "Base component of reactions";
+
+  parameter Real Coef_cr[Nc, Nr];
+  //Stochiometry of reactions
+
+  Real Schk_r[Nr];
+  //Returns whether the specified stoichiometry is correct
+  Real Hf_c[Nc];
+  Real Hr_r[Nr];
+
+equation
+//Check of stoichiometric balance
+  Schk_r = Stoichiometrycheck(Nr, Nc, C[:].MW, Coef_cr);
+//Calculation of Heat of Reaction
+  Hf_c[:] = C[:].IGHF .* 1E-3;
+//=============================================================================================
+  for i in 1:Nr loop
+    Hr_r[i] = sum(Hf_c[:] .* Coef_cr[:, i] / abs(Coef_cr[BC_r[i], i]));
+  end for;
+end ConversionReaction;
diff --git a/src/main/Simulator/Simulator/Files/Models/ReactionManager/EquilibriumReaction.mo b/src/main/Simulator/Simulator/Files/Models/ReactionManager/EquilibriumReaction.mo
new file mode 100644
index 0000000..21c9912
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/ReactionManager/EquilibriumReaction.mo
@@ -0,0 +1,56 @@
+within Simulator.Files.Models.ReactionManager;
+
+model EquilibriumReaction
+  //===================================================================================================
+  import Simulator.Files.*;
+  import data = Simulator.Files.ChemsepDatabase;
+
+  parameter Integer Nr;
+  //Number of Reactions involved in the process
+  parameter Real Coef_cr[Nc, Nr];
+  parameter String Rmode;
+  parameter Real Kg[Nr];
+  parameter Real A[Nr,4];
+  parameter Real B[Nr,4];
+   Real T;
+  //Stochiometry of reactions
+  Real Schk_r[Nr];
+  //Returns whether the specified stoichiometry is correct
+  Real Hf_c[Nc];
+  Real Hr_r[Nr];
+
+  
+  //Equilibrium Constant
+  Real K[Nr](start=xliqg);
+  Real N[Nr](each start= Fg),D[Nr](each start=Fg);
+  
+  extends Simulator.GuessModels.InitialGuess;
+equation
+ 
+
+//Check of stoichiometric balance
+  Schk_r = Simulator.Files.Models.ReactionManager.Stoichiometrycheck(Nr, Nc, C[:].MW, Coef_cr);
+//Calculation of Heat of Reaction
+  Hf_c[:] = C[:].IGHF .* 1E-3;
+//=============================================================================================
+  for i in 1:Nr loop
+    Hr_r[i] = sum(Hf_c[:] .* Coef_cr[:, i])/(Coef_cr[BC_r[1],i]);
+  end for;
+
+if(Rmode=="ConstantK") then
+ K = Kg;
+ for i in 1:Nr loop
+ N[i] =0;
+ D[i]=0;
+ end for; 
+elseif(Rmode=="Tempfunc") then
+ for i in 1:Nr loop
+ N[i] = (A[i,1]+A[i,2]*T+A[i,3]*T^2+A[i,4]*log(T));
+ D[i] = (B[i,1]+B[i,2]*T+B[i,3]*T^2+B[i,4]*log(T));
+end for; 
+(K)= exp(N./D);
+end if;  
+
+annotation(
+    Icon(coordinateSystem(initialScale = 0)));
+end EquilibriumReaction;
diff --git a/src/main/Simulator/Simulator/Files/Models/ReactionManager/KineticReaction.mo b/src/main/Simulator/Simulator/Files/Models/ReactionManager/KineticReaction.mo
new file mode 100644
index 0000000..23bce53
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/ReactionManager/KineticReaction.mo
@@ -0,0 +1,37 @@
+within Simulator.Files.Models.ReactionManager;
+
+  model KineticReaction
+  //===================================================================================================
+  import Simulator.Files.*;
+  import data = Simulator.Files.Chemsep_Database;
+//  parameter ChemsepDatabase.GeneralProperties C[Nc];
+//  parameter Integer Nc;
+  parameter Integer Nr;
+  //Number of Reactions involved in the process
+  parameter Integer BC_r[Nr] "Base component of reactions";
+  parameter Integer Comp;
+  //Number of components involved in the reaction
+  parameter Real Coef_cr[Nc, Nr];
+  //Stochiometry of reactions
+  parameter Real DO_cr[Nc, Nr];
+  //Direct order of reactions
+//  parameter Real RO_cr[Nc, Nr];
+  //Reverse order of reactions
+  Real Schk_r[Nr];
+  //Returns whether the specified stoichiometry is correct
+  Real Hf_c[Nc];
+  Real Hr_r[Nr];
+  parameter Real Af_r[Nr] "Arrhenius constants of forward reaction";
+  parameter Real Ef_r[Nr] "Activation Energy of the forward reaction";
+//  parameter Real Ab_r[Nr] "Arrhenius constants of reverse reaction";
+//  parameter Real Eb_r[Nr] "Activation Energy for the reverse reaction";
+equation
+//Check of stoichiometric balance
+  Schk_r = Stoichiometrycheck(Nr, Nc, C[:].MW, Coef_cr);
+//Calculation of Heat of Reaction
+  Hf_c[:] = C[:].IGHF .* 1E-3;
+//=============================================================================================
+  for i in 1:Nr loop
+    Hr_r[i] = sum(Hf_c[:] .* Coef_cr[:, i]) / BC_r[i];
+  end for;
+end KineticReaction;
diff --git a/src/main/Simulator/Simulator/Files/Models/ReactionManager/Stoichiometrycheck.mo b/src/main/Simulator/Simulator/Files/Models/ReactionManager/Stoichiometrycheck.mo
new file mode 100644
index 0000000..2586581
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/ReactionManager/Stoichiometrycheck.mo
@@ -0,0 +1,27 @@
+within Simulator.Files.Models.ReactionManager;
+
+function Stoichiometrycheck
+    extends Modelica.Icons.Function;
+    //This functions checks the stoichiometry of the reaction we have given and returns "1" as output if the stoichiometry is okay and returns 0 otherwise.
+    input Integer Nr"No. of Reactions";
+    input Integer Nc"Nomber of components in the required reactions";
+    input Real MW_c[Nc]"Molecular weight";
+    input Real Sc_cr[Nc,Nr]"Reaction coefficients";
+    output Integer Chk_r[Nr];
+    
+    protected
+    Real D_r[Nr]=fill(0,Nr);
+    
+    algorithm
+    for i in 1:Nr loop
+      for j in 1:Nc loop
+        D_r[i]:=D_r[i]+(MW_c[j]*Sc_cr[j,i]);
+      end for;
+      if D_r[i]<=0.1 and D_r[i]>=-0.1 then
+      Chk_r[i]:=1;
+      else 
+      Chk_r[i]:=0;
+      end if;
+    end for;
+    end Stoichiometrycheck;
+    
diff --git a/src/main/Simulator/Simulator/Files/Models/ReactionManager/package.mo b/src/main/Simulator/Simulator/Files/Models/ReactionManager/package.mo
new file mode 100644
index 0000000..0b24e8d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/ReactionManager/package.mo
@@ -0,0 +1,5 @@
+within Simulator.Files.Models;
+
+package ReactionManager
+   extends Modelica.Icons.Package;
+end ReactionManager;
diff --git a/src/main/Simulator/Simulator/Files/Models/ReactionManager/package.order b/src/main/Simulator/Simulator/Files/Models/ReactionManager/package.order
new file mode 100644
index 0000000..b9a039e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/ReactionManager/package.order
@@ -0,0 +1,6 @@
+Stoichiometrycheck
+Arhenious
+BaseCalc
+ConversionReaction
+KineticReaction
+EquilibriumReaction
diff --git a/src/main/Simulator/Simulator/Files/Models/gammaNRTL.mo b/src/main/Simulator/Simulator/Files/Models/gammaNRTL.mo
new file mode 100644
index 0000000..114176c
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/gammaNRTL.mo
@@ -0,0 +1,31 @@
+within Simulator.Files.Models;
+
+model gammaNRTL
+  //  input Simulator.Files.Chemsep_Database.General_Properties C[Nc];
+  parameter Integer Nc;
+  parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+  Real x_c[Nc](each min = 0, each max = 1, each start = 1 / (Nc + 1)), T(min = 0, start = 273.15);
+  Real gma_c[Nc](each start = 1);
+  Real tau[Nc, Nc], G[Nc, Nc], alpha[Nc, Nc], A[Nc, Nc], BIPS[Nc, Nc, 2];
+  Real sum1[Nc](each start = 1), sum2[Nc](each start = 1);
+  constant Real R = 1.98721;
+equation
+  BIPS = Simulator.Files.ThermodynamicFunctions.BIPNRTL(Nc, C.CAS);
+  A = BIPS[:, :, 1];
+  alpha = BIPS[:, :, 2];
+  tau = A ./ (R * T);
+//  G = exp(-alpha .* tau);//this equation is giving error in OM 1.11 hence for loop used
+  for i in 1:Nc loop
+    for j in 1:Nc loop
+      G[i, j] = exp(-alpha[i, j] * tau[i, j]);
+    end for;
+  end for;
+//G = {{1, 1.1574891705 }, {0.8455436959, 1}};
+  for i in 1:Nc loop
+    sum1[i] = sum(x_c[:] .* G[:, i]);
+    sum2[i] = sum(x_c[:] .* tau[:, i] .* G[:, i]);
+  end for;
+  for i in 1:Nc loop
+    log(gma_c[i]) = sum(x_c[:] .* tau[:, i] .* G[:, i]) / sum(x_c[:] .* G[:, i]) + sum(x_c[:] .* G[i, :] ./ sum1[:] .* (tau[i, :] .- sum2[:] ./ sum1[:]));
+  end for;
+end gammaNRTL;
diff --git a/src/main/Simulator/Simulator/Files/Models/package.mo b/src/main/Simulator/Simulator/Files/Models/package.mo
new file mode 100644
index 0000000..d45a23e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/package.mo
@@ -0,0 +1,5 @@
+within Simulator.Files;
+
+package Models
+  extends Modelica.Icons.UtilitiesPackage;
+end Models;
diff --git a/src/main/Simulator/Simulator/Files/Models/package.order b/src/main/Simulator/Simulator/Files/Models/package.order
new file mode 100644
index 0000000..e3b45ea
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/Models/package.order
@@ -0,0 +1,3 @@
+Flash
+gammaNRTL
+ReactionManager
diff --git a/src/main/Simulator/Simulator/Files/OtherFunctions/colBoolCalc.mo b/src/main/Simulator/Simulator/Files/OtherFunctions/colBoolCalc.mo
new file mode 100644
index 0000000..4dc352d
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/OtherFunctions/colBoolCalc.mo
@@ -0,0 +1,13 @@
+within Simulator.Files.OtherFunctions;
+
+function colBoolCalc
+  extends Modelica.Icons.Function;
+  //column boolean calculator
+  input Integer noOfStages, noOfExCons, exConStages[noOfExCons];
+  output Boolean bool[noOfStages];
+algorithm
+  bool := fill(false, noOfStages);
+  for i in 1:noOfExCons loop
+    bool[exConStages[i]] := true;
+  end for;
+end colBoolCalc;
diff --git a/src/main/Simulator/Simulator/Files/OtherFunctions/package.mo b/src/main/Simulator/Simulator/Files/OtherFunctions/package.mo
new file mode 100644
index 0000000..6cf5c45
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/OtherFunctions/package.mo
@@ -0,0 +1,6 @@
+within Simulator.Files;
+
+package OtherFunctions
+  extends Modelica.Icons.FunctionsPackage;
+  
+end OtherFunctions;
diff --git a/src/main/Simulator/Simulator/Files/OtherFunctions/package.order b/src/main/Simulator/Simulator/Files/OtherFunctions/package.order
new file mode 100644
index 0000000..292facd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/OtherFunctions/package.order
@@ -0,0 +1 @@
+colBoolCalc
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/BIPNRTL.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/BIPNRTL.mo
new file mode 100644
index 0000000..a119c78
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/BIPNRTL.mo
@@ -0,0 +1,44 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+function BIPNRTL
+extends Modelica.Icons.Function;
+input Integer Nc;
+input String CAS[Nc];
+output Real BIP[Nc, Nc, 2];
+protected
+constant String Us = "_";
+String c_cc[Nc, Nc];
+String d_cc[Nc, Nc];
+constant String CAS_CAS[352] = {"67-56-1_56-23-5", "67-56-1_75-25-2", "67-66-3_67-56-1", "75-09-2_67-56-1", "67-56-1_75-12-7", "151-67-7_67-56-1", "75-01-4_67-56-1", "67-56-1_75-05-8", "67-56-1_107-06-2", "67-56-1_64-19-7", "107-31-3_67-56-1", "67-56-1_64-17-5", "67-56-1_67-68-5", "124-40-3_67-56-1", "67-64-1_67-56-1", "123-38-6_67-56-1", "75-56-9_67-56-1", "79-20-9_67-56-1", "67-56-1_79-09-4", "67-56-1_68-12-2", "67-56-1_71-23-8", "109-87-5_67-56-1", "67-56-1_110-02-1", "106-99-0_67-56-1", "67-56-1_96-33-3", "115-11-7_67-56-1", "67-56-1_78-93-3", "67-56-1_109-99-9", "67-56-1_123-91-1", "67-56-1_141-78-6", "67-56-1_126-33-0", "106-97-8_67-56-1", "67-56-1_71-36-3", "67-56-1_78-92-2", "60-29-7_67-56-1", "67-56-1_110-63-4", "67-56-1_110-86-1", "542-92-7_67-56-1", "78-79-5_67-56-1", "1574-41-0_67-56-1", "2004-70-8_67-56-1", "67-56-1_80-62-6", "513-35-9_67-56-1", "67-56-1_563-80-4", "67-56-1_110-89-4", "1634-04-4_67-56-1", "67-56-1_392-56-3", "67-56-1_108-90-7", "67-56-1_71-43-2", "67-56-1_62-53-3", "67-56-1_109-06-8", "67-56-1_108-99-6", "67-56-1_108-89-4", "67-56-1_110-83-8", "67-56-1_110-82-7", "592-41-6_67-56-1", "67-56-1_123-86-4", "67-56-1_110-54-3", "67-56-1_121-44-8", "67-56-1_108-88-3", "67-56-1_108-48-5", "67-56-1_592-76-7", "67-56-1_108-87-2", "67-56-1_142-82-5", "67-56-1_100-41-4", "67-56-1_108-38-3", "67-56-1_106-42-3", "67-56-1_111-66-0", "67-56-1_111-65-9", "67-56-1_540-84-1", "56-23-5_67-56-1", "67-66-3_64-17-5", "75-09-2_64-17-5", "64-17-5_127-18-4", "64-17-5_75-05-8", "64-17-5_107-06-2", "64-17-5_64-19-7", "64-17-5_107-21-1", "124-40-3_64-17-5", "67-64-1_64-17-5", "79-20-9_64-17-5", "64-17-5_67-63-0", "64-17-5_110-02-1", "108-05-4_64-17-5", "64-17-5_78-93-3", "109-99-9_64-17-5", "64-17-5_123-91-1", "141-78-6_64-17-5", "64-17-5_126-33-0", "64-17-5_78-92-2", "60-29-7_64-17-5", "64-17-5_78-83-1", "109-73-9_64-17-5", "64-17-5_110-86-1", "78-79-5_64-17-5", "64-17-5_80-62-6", "513-35-9_64-17-5", "64-17-5_563-80-4", "64-17-5_109-60-4", "78-78-4_64-17-5", "109-66-0_64-17-5", "64-17-5_123-51-3", "64-17-5_108-86-1", "64-17-5_108-90-7", "64-17-5_71-43-2", "64-17-5_62-53-3", "64-17-5_108-99-6", "64-17-5_110-82-7", "592-41-6_64-17-5", "64-17-5_108-93-0", "64-17-5_123-86-4", "110-54-3_64-17-5", "64-17-5_111-43-3", "64-17-5_121-44-8", "64-17-5_108-88-3", "64-17-5_100-66-3", "64-17-5_108-48-5", "64-17-5_628-63-7", "64-17-5_142-82-5", "64-17-5_100-41-4", "64-17-5_106-42-3", "64-17-5_111-65-9", "64-17-5_540-84-1", "64-17-5_544-76-3", "64-17-5_112-80-1", "56-23-5_71-23-8", "71-23-8_127-18-4", "79-01-6_71-23-8", "107-06-2_71-23-8", "71-23-8_64-19-7", "124-40-3_71-23-8", "71-23-8_79-09-4", "67-63-0_71-23-8", "71-23-8_109-86-4", "107-10-8_71-23-8", "71-23-8_79-41-4", "78-93-3_71-23-8", "109-99-9_71-23-8", "109-69-3_71-23-8", "71-23-8_78-83-1", "109-73-9_71-23-8", "71-23-8_110-86-1", "71-23-8_80-62-6", "71-23-8_109-60-4", "71-23-8_123-51-3", "392-56-3_71-23-8", "71-23-8_108-90-7", "71-43-2_71-23-8", "71-23-8_109-06-8", "71-23-8_108-99-6", "71-23-8_108-89-4", "110-82-7_71-23-8", "110-54-3_71-23-8", "71-23-8_142-84-7", "121-44-8_71-23-8", "71-23-8_107-46-0", "71-23-8_108-88-3", "71-23-8_108-48-5", "71-23-8_142-82-5", "71-23-8_100-41-4", "71-23-8_111-65-9", "71-23-8_124-18-5", "71-23-8_112-30-1", "67-56-1_7732-18-5", "67-56-1_67-66-3", "67-56-1_64-17-5", "67-56-1_67-64-1", "67-56-1_71-43-2", "67-56-1_110-82-7", "67-56-1_108-88-3", "67-56-1_142-82-5", "7732-18-5_67-64-1", "7732-18-5_78-93-3", "7732-18-5_108-95-2", "64-17-5_7732-18-5", "64-17-5_67-66-3", "64-17-5_67-64-1", "64-17-5_78-93-3", "64-17-5_71-43-2", "64-17-5_110-82-7", "64-17-5_108-88-3", "64-17-5_142-82-5", "64-17-5_106-42-3", "67-64-1_67-66-3", "67-64-1_71-43-2", "67-64-1_108-95-2", "67-64-1_110-82-7", "67-64-1_108-88-3", "78-93-3_71-43-2", "78-93-3_110-82-7", "78-93-3_108-88-3", "78-93-3_142-82-5", "71-43-2_67-66-3", "71-43-2_108-95-2", "71-43-2_108-88-3", "71-43-2_106-42-3", "108-88-3_67-66-3", "108-88-3_106-42-3", "108-87-2_108-95-2", "7732-18-5_79-34-5", "109-87-5_7732-18-5", "107-10-8_7732-18-5", "78-93-3_7732-18-5", "78-84-2_7732-18-5", "109-99-9_7732-18-5", "7732-18-5_123-91-1", "141-78-6_7732-18-5", "7732-18-5_126-33-0", "7732-18-5_127-19-5", "7732-18-5_110-91-8", "7732-18-5_71-36-3", "78-83-1_7732-18-5", "75-65-0_7732-18-5", "60-29-7_7732-18-5", "7732-18-5_110-63-4", "7732-18-5_513-85-9", "7732-18-5_111-46-6", "109-73-9_7732-18-5", "109-89-7_7732-18-5", "7732-18-5_98-01-1", "7732-18-5_110-86-1", "7732-18-5_120-94-5", "7732-18-5_123-51-3", "7732-18-5_75-85-4", "7732-18-5_108-95-2", "7732-18-5_62-53-3", "7732-18-5_109-06-8", "7732-18-5_108-99-6", "7732-18-5_108-89-4", "7732-18-5_100-63-0", "7732-18-5_108-94-1", "7732-18-5_141-79-7", "7732-18-5_108-93-0", "7732-18-5_123-86-4", "7732-18-5_123-42-2", "108-20-3_7732-18-5", "7732-18-5_111-27-3", "7732-18-5_626-93-7", "7732-18-5_111-76-2", "121-44-8_7732-18-5", "7732-18-5_100-51-6", "7732-18-5_108-48-5", "7732-18-5_123-92-2", "7732-18-5_98-86-2", "7732-18-5_91-22-5", "7732-18-5_98-82-8", "56-23-5_71-43-2", "71-43-2_75-25-2", "67-66-3_71-43-2", "74-88-4_71-43-2", "71-43-2_75-52-5", "75-15-0_71-43-2", "76-13-1_71-43-2", "71-43-2_127-18-4", "71-43-2_79-01-6", "71-43-2_76-01-7", "71-43-2_79-34-5", "71-55-6_71-43-2", "71-43-2_106-93-4", "71-43-2_107-06-2", "75-03-6_71-43-2", "71-43-2_123-39-7", "71-43-2_79-24-3", "71-43-2_67-68-5", "71-43-2_107-15-3", "71-43-2_68-12-2", "71-43-2_108-03-2", "71-43-2_79-46-9", "71-43-2_110-02-1", "109-73-9_71-43-2", "75-64-9_71-43-2", "109-89-7_71-43-2", "71-43-2_110-86-1", "71-43-2_392-56-3", "71-43-2_106-46-7", "71-43-2_108-86-1", "71-43-2_108-90-7", "71-43-2_462-06-6", "71-43-2_98-95-3", "71-43-2_62-53-3", "71-43-2_108-91-8", "71-43-2_121-44-8", "71-43-2_100-47-0", "71-43-2_108-88-3", "71-43-2_100-60-7", "71-43-2_100-42-5", "71-43-2_100-41-4", "71-43-2_108-38-3", "71-43-2_106-42-3", "71-43-2_91-66-7", "71-43-2_98-82-8", "71-43-2_103-65-1", "71-43-2_92-06-8", "56-23-5_108-88-3", "67-66-3_108-88-3", "75-15-0_108-88-3", "79-01-6_108-88-3", "75-05-8_108-88-3", "624-83-9_108-88-3", "107-06-2_108-88-3", "108-88-3_79-24-3", "108-88-3_67-68-5", "108-88-3_107-15-3", "107-12-0_108-88-3", "108-88-3_68-12-2", "110-02-1_108-88-3", "108-88-3_126-33-0", "109-89-7_108-88-3", "108-88-3_110-86-1", "392-56-3_108-88-3", "108-88-3_108-86-1", "108-88-3_108-90-7", "462-06-6_108-88-3", "108-88-3_98-95-3", "108-88-3_109-06-8", "108-88-3_108-99-6", "108-88-3_100-47-0", "108-88-3_100-41-4", "108-88-3_106-42-3", "107-13-1_100-42-5", "100-41-4_100-42-5", "100-42-5_103-65-1", "56-23-5_100-41-4", "75-05-8_100-41-4", "107-13-1_100-41-4", "109-89-7_100-41-4", "108-90-7_100-41-4", "100-41-4_98-95-3", "100-41-4_62-53-3", "100-41-4_98-82-8", "100-41-4_104-51-8", "56-23-5_108-38-3", "108-38-3_68-12-2", "110-86-1_108-38-3", "108-38-3_62-53-3", "106-42-3_108-38-3", "107-06-2_95-47-6", "107-15-3_95-47-6", "95-47-6_68-12-2", "56-23-5_106-42-3", "75-05-8_106-42-3", "107-06-2_106-42-3", "106-42-3_68-12-2", "392-56-3_106-42-3", "108-90-7_106-42-3", "106-42-3_62-53-3", "56-23-5_98-82-8", "103-65-1_98-95-3", "95-63-6_526-73-8", "104-51-8_98-95-3", "99-87-6_62-53-3", "91-57-6_90-12-0"};
+
+constant Real BIPdb[352, 3] = {{378.8254, 1430.7379, 0.2892}, {879.0968, 1063.6098, 0.6381}, {1414.2712, -141.8030, 0.2949}, {1560.0282, 441.3372, 0.6234}, {617.5847, -153.4695, 0.3003}, {9870.3530, -6982.8569, 0.187e-1}, {1789.7165, -34.9448, 0.2912}, {343.7042, 314.5879, 0.2981}, {348.6035, 1020.1431, 0.2921}, {16.6465, -217.1261, 0.3051}, {584.5720, 298.5567, 0.2962}, {-327.9991, 376.2667, 0.3057}, {-168.3182, -497.4171, 0.3079}, {-1018.1430, -54.3882, 0.3134}, {184.2662, 226.5580, 0.3009}, {1046.6524, -865.2660, 0.3084}, {924.8499, -61.1796, 0.2986}, {381.4559, 346.5360, 0.2965}, {-50.1450, -78.0859, 0.3056}, {-124.0904, 0.3428, 09.1633}, {24.9003, 9.5349, 0.3011}, {608.9115, 712.0226, 0.7259}, {-90.1051, 1217.1035, 0.2976}, {1353.0599, 610.8292, 0.4670}, {676.8360, 169.9831, 0.2958}, {1333.6000, 556.3608, 0.3697}, {307.4271, 217.9098, 0.3003}, {169.4153, 383.1579, 0.3002}, {607.4050, 76.7683, 0.2985}, {345.5416, 420.7355, 0.2962}, {1069.2756, 906.5741, 0.7182}, {1440.1498, 1053.7716, 0.4647}, {793.8173, -486.3299, 0.2483}, {-308.5610, 285.4420, 0.3036}, {705.9989, 211.1580, 0.2953}, {446.9520, -450.5858, 0.3152}, {-45.0888, 84.1956, 0.3027}, {1541.9324, 736.0352, 0.4515}, {1445.6425, 543.5270, 0.4260}, {1545.3339, 799.1289, 0.4753}, {1514.2761, 782.1729, 0.4657}, {590.2790, 380.8401, 0.2963}, {1355.6853, 660.9164, 0.3381}, {642.3761, -6.2901, 0.2987}, {590.8820, -1169.7242, 0.1387}, {851.4954, 465.8360, 0.8178}, {930.5910, 1244.1303, 0.4701}, {857.0852, 1348.0903, 0.4707}, {721.6136, 1158.5131, 0.4694}, {407.7440, 117.2473, 0.3008}, {226.0820, -385.6823, 0.3095}, {-163.4505, -86.1482, 0.3075}, {304.2242, -452.3483, 0.3053}, {1178.5792, 1618.9792, 0.4568}, {1315.1631, 1497.2135, 0.4222}, {1222.6032, 1145.1085, 0.4402}, {328.2162, 453.0017, 0.2961}, {1619.3829, 1622.2911, 0.4365}, {-476.8503, 1126.1143, 0.2874}, {939.7275, 1090.9297, 0.4643}, {-273.3320, 59.6250, 0.3051}, {1313.5497, 1143.9059, 0.4163}, {1444.5850, 1719.4586, 0.4397}, {1500.2043, 1519.3346, 0.4277}, {1080.1231, 1038.1572, 0.4251}, {991.1609, 822.1357, 0.2910}, {974.6545, 851.1070, 0.2921}, {1456.3583, 1147.8132, 0.4396}, {1681.6918, 1511.4353, 0.4381}, {1447.0909, 1386.4703, 0.4313}, {1339.9000, 488.6648, 0.4622}, {1438.3602, -327.5518, 0.3023}, {1332.8036, -153.0761, 0.3057}, {685.8542, 807.5935, 0.2900}, {529.7267, 338.1632, 0.2964}, {333.3502, 939.3870, 0.2926}, {-34.1971, -190.7763, 0.3050}, {1644.0484, -203.7691, 0.3704}, {-1224.5739, 370.7683, 0.3105}, {36.2965, 434.8228, 0.2987}, {188.3139, 158.0118, 0.3013}, {690.1392, -529.3472, 0.3125}, {222.3096, 1057.7115, 0.2918}, {505.1637, 320.7403, 0.2959}, {64.4957, 463.1931, 0.3010}, {661.3708, -200.6915, 0.3015}, {505.5637, 111.8389, 0.2988}, {305.6041, 330.5105, 0.2988}, {1195.1601, 705.0897, 0.5676}, {-559.8205, 802.5411, 0.2721}, {763.6707, 71.1984, 0.2946}, {53.1671, 82.0442, 0.3023}, {-612.3956, -5.7834, 0.3062}, {163.6655, -169.9802, 0.3017}, {1402.5377, 653.4866, 0.5056}, {456.9676, 386.5893, 0.2963}, {1412.7516, 674.7726, 0.4569}, {-54.0946, 639.6806, 0.3009}, {760.4933, 129.3970, 0.2950}, {1610.2811, 935.1426, 0.4960}, {1183.3812, 412.7546, 0.2886}, {51.1705, -42.8613, 0.3009}, {820.8023, 1349.6853, 0.4995}, {645.7829, 1383.7110, 0.5229}, {516.1410, 1065.9086, 0.4774}, {1823.3542, -523.0474, 0.3005}, {315.6078, -339.0825, 0.3056}, {876.7933, 1390.4162, 0.4485}, {1399.1806, 949.7239, 0.5011}, {1719.8644, -833.8389, 0.2920}, {841.9935, -55.3231, 0.2958}, {1218.1065, 575.2985, 0.2882}, {442.6124, 634.1687, 0.2945}, {-248.0407, 697.9004, 0.2996}, {713.5653, 1147.8607, 0.5292}, {3458.4788, -1438.8884, 0.1704}, {-48.2159, -19.6212, 0.3016}, {552.3897, 266.1248, 0.2964}, {1137.2650, 1453.5947, 0.4786}, {801.7191, 1006.8831, 0.4962}, {768.3633, 760.0800, 0.2914}, {1206.8097, 1385.3721, 0.4717}, {1091.0432, 1500.6711, 0.4738}, {2359.4082, 1509.2033, 0.4448}, {975.6816, -343.5446, 0.2988}, {1537.6384, 537.2439, 0.6310}, {608.3777, 646.0412, 0.2913}, {926.6139, 196.0696, 0.3007}, {636.9927, 364.0596, 0.2956}, {256.8999, -327.5173, 0.3044}, {81.4870, -703.3731, 0.2697}, {-189.7856, -32.4657, 0.3070}, {167.2501, -175.2928, 0.3057}, {-406.3767, 830.8897, 0.3013}, {-602.9687, -45.3543, 0.3061}, {276.6356, -423.9162, 0.3025}, {148.8670, 213.3829, 0.3016}, {562.4611, -302.2498, 0.3003}, {1201.9959, 506.8982, 0.5468}, {-2.8139, -13.8657, 0.3034}, {-698.9510, 34.7593, 0.3001}, {374.8691, -412.2861, 0.3110}, {504.0900, 125.6451, 0.2993}, {340.0210, 111.7437, 0.3005}, {12.2207, -31.8303, 0.3033}, {922.5224, 528.5894, 0.2937}, {456.2867, 538.5114, 0.2946}, {874.2419, 285.7774, 0.2899}, {529.6444, -608.3163, 0.3054}, {479.7439, -540.4699, 0.3045}, {523.8291, -603.0924, 0.3084}, {1707.7883, 353.2705, 0.5914}, {1092.1470, 480.6740, 0.2940}, {617.3558, -459.5845, 0.2892}, {991.6157, -435.2018, 0.3067}, {1615.0711, -498.3638, 0.1028}, {25.6220, 922.0009, 0.175e-1}, {472.9353, -545.1853, 0.2960}, {1198.9720, 1377.2975, 0.5193}, {563.6173, 475.5966, 0.2921}, {1109.3040, 334.2112, 0.2907}, {945.3159, 520.2926, 0.2895}, {1068.0694, -588.3325, 0.2958}, {-189.0469, 792.8020, 0.2999}, {-105.4657, 1335.3416, 0.2873}, {67.2902, -70.5092, 0.3009}, {296.2432, 118.0803, 0.3003}, {761.7553, 1094.8556, 0.4893}, {1313.9316, 1862.4639, 0.4410}, {884.0230, 1008.0037, 0.4064}, {1566.4390, 1598.3126, 0.4408}, {1324.9767, 814.1435, 0.5663}, {653.9718, 1883.6007, 0.3607}, {2419.3354, 1844.3794, 0.6308}, {-57.9601, 1241.7396, 0.2937}, {-285.3881, 1289.2198, 0.2909}, {375.3497, 45.3706, 0.3006}, {437.1923, 33.6363, 0.3022}, {255.3591, 1047.1959, 0.2970}, {761.7739, 1393.7993, 0.4376}, {542.4128, 772.4394, 0.2937}, {1114.2947, 1305.9242, 0.4758}, {1020.8405, 889.3461, 0.6180}, {-651.1909, 301.8389, 0.3054}, {-396.4935, 886.5703, 0.2971}, {-754.9547, -280.3830, 0.3086}, {429.8705, 727.6490, 0.2925}, {-247.9492, 727.5102, 0.2950}, {-644.8573, 898.3999, 0.1563}, {605.7381, 235.4493, 0.2963}, {503.0737, -181.5533, 0.2996}, {681.5104, 931.4616, 0.9809}, {-227.3671, -86.1025, 0.3062}, {373.4202, 318.1885, 0.2986}, {60.1980, -51.0865, 0.3019}, {-50.2635, 14.2180, 0.3056}, {-583.6169, 629.2214, 0.2974}, {226.4602, -241.7457, 0.2874}, {2587.8730, -439.4469, 0.2836}, {2435.8879, 102.7658, 0.972e-1}, {1608.0700, 1818.2947, 0.4898}, {-455.9152, 1301.6396, 0.2981}, {674.4614, 1809.8868, 0.3536}, {1166.8333, 1090.0262, 0.2862}, {915.7450, 1725.0977, 0.4522}, {715.9592, 548.8965, 0.2920}, {1285.9880, 1606.0820, 0.4393}, {1160.1372, 467.9008, 0.5573}, {75.5965, 328.8977, 0.3009}, {-803.1654, 1732.7268, 0.2954}, {2633.6951, 504.0381, 0.4447}, {639.8173, 2491.0163, 0.4385}, {471.7718, 2030.8877, 0.5155}, {1544.0251, 2086.4776, 0.3792}, {1310.8994, 1920.1402, 0.5778}, {2531.7402, -758.0034, 0.3020}, {1186.7304, -99.9000, 0.2974}, {160.3429, 2104.4002, 0.6379}, {-169.1652, 1372.3121, 0.2932}, {2602.6374, 436.9686, 0.3950}, {1835.0881, 419.8087, 0.6802}, {-239.6197, 573.8298, 0.3055}, {3633.5330, -494.8389, 0.2816}, {19947.2334, -15910.4563, 0.56e-2}, {2385.3714, 282.6970, 0.4942}, {11965.5274, -7391.5468, 0.235e-1}, {1979.5492, 197.0009, 0.6371}, {2559.3708, 418.7524, 0.5361}, {2325.9141, 162.3029, 0.5622}, {1473.9606, -66.4169, 0.811e-1}, {2983.8991, -171.6660, 0.2673}, {2121.4973, 101.3068, 0.1504}, {2232.9727, 641.3504, 0.4399}, {3805.0038, 918.2419, 0.2951}, {1323.2731, 845.9826, 0.6780}, {2665.1471, 4202.0746, 0.5409}, {2991.1845, -464.8054, 0.1563}, {1880.1699, 489.1746, 0.2938}, {1914.0077, 220.0262, 0.4776}, {-5096.5280, 28437.1380, 0.381e-1}, {4689.8409, 301.3998, 0.3168}, {2222.5960, 831.9908, 0.5706}, {1874.8967, 856.9565, 0.3734}, {725.1364, 858.8268, 00.}, {11675.1604, -3887.1802, 0.902e-1}, {2986.1161, -84.8485, 0.860e-1}, {-4.9421, 84.0212, 0.3055}, {893.4167, -566.9011, 0.2551}, {176.8791, -288.2136, 0.3061}, {294.4424, -185.2944, 0.3013}, {273.5119, 524.9030, 0.2961}, {161.2943, 431.5524, 0.3008}, {-53.1528, 551.9630, 0.3013}, {-94.1122, 288.6566, 0.3023}, {140.5075, -127.4605, 0.3064}, {-225.8274, 197.7460, 0.3030}, {-73.7504, -250.7743, 0.3055}, {-73.4845, 97.5682, 0.3038}, {-100.9240, 300.0048, 0.3046}, {58.8289, -39.5526, 0.3035}, {394.5891, 298.1172, 0.3004}, {1512.9737, 639.2332, 0.5231}, {527.2886, -57.1531, 0.3004}, {810.5440, 408.5646, 0.6691}, {490.0693, 560.0207, 0.2957}, {736.7867, -251.4046, 0.3074}, {-157.3069, 595.6615, 0.3012}, {1088.4773, -446.4137, 0.3068}, {-347.2708, 503.5971, 0.3045}, {65.9717, 67.1231, 0.3024}, {-344.6666, 757.9930, 0.3067}, {52.3512, -42.2029, 0.2813}, {541.0855, -319.8327, 0.2795}, {1085.4557, -715.7662, 0.2989}, {1441.9721, -865.5699, 0.2830}, {1538.3464, -819.5924, 0.3214}, {700.4097, -450.6274, 0.3251}, {277.6641, -292.2391, 0.3040}, {1311.3264, -523.3212, 0.3110}, {776.8671, -178.3464, 0.2990}, {717.4228, -684.6315, 0.2908}, {130.6061, -27.3294, 0.3037}, {1390.4880, -636.1853, 0.2851}, {111.1157, -121.2437, 0.3033}, {52.3967, 94.0417, 0.3020}, {-643.5999, 970.4264, 0.3110}, {-70.8372, 57.0902, 0.3034}, {-454.1872, 615.2806, 0.2878}, {-50.2635, 14.2180, 0.3056}, {85.2080, 104.9548, 0.3019}, {1915.7178, -810.5032, 0.3693}, {-192.1433, 141.5054, 0.3032}, {64.1947, 78.6570, 0.3022}, {-69.6810, 95.3839, 0.3041}, {629.2214, -583.6169, 0.2974}, {-591.6879, 1052.8580, 0.2439}, {185.3799, -250.7688, 0.3062}, {790.7250, 724.0955, 0.9353}, {-167.8974, 104.6027, 0.3029}, {-217.7768, 251.5704, 0.3097}, {537.4434, 21.7626, 0.3011}, {1063.2839, 192.0041, 0.2898}, {432.7908, 592.5054, 0.2969}, {-95.6685, 717.0741, 0.3009}, {-2260.2463, 3666.1775, 0.711e-1}, {510.1471, -197.5696, 0.3015}, {5175.2573, 224.8869, 0.4600}, {91.4853, -153.9388, 05.1012}, {264.6428, -60.3423, 0.2992}, {668.6525, -666.7128, 0.2414}, {-47.4722, 15.0630, 0.3049}, {-40.5158, 15.0972, 0.3037}, {386.4643, -304.6112, 0.3083}, {806.4313, -288.9774, 0.2969}, {396.5492, -97.1224, 0.3028}, {-490.8706, 1036.9557, 0.2963}, {-676.6725, 1239.9195, 0.3000}, {663.0837, -482.5109, 0.3005}, {226.4602, -241.7457, 0.2874}, {598.0263, -130.4323, 0.3023}, {-539.7919, 813.9959, 0.3466}, {649.8687, -453.4673, 0.3067}, {-172.3762, 122.4657, 0.3034}, {1102.5396, 5.3234, 0.2980}, {1304.6073, -338.2481, 0.2994}, {928.9662, -553.9006, 0.3457}, {357.7079, -307.8057, 0.3076}, {519.4154, -64.0219, 0.3003}, {243.6463, 384.0030, 0.2989}, {26.2560, -27.6358, 0.3043}, {-789.9294, 957.1492, 0.3026}, {-232.4578, 163.8924, 0.3047}, {308.9034, 548.6670, 0.2960}, {-78.8985, 351.0029, 0.3009}, {-259.4169, 1034.4099, 0.2992}, {282.0248, -254.9358, 0.3085}, {718.2538, -479.1971, 0.2870}, {1357.7269, -110.2727, 0.1967}, {559.7795, 332.8093, 0.2947}, {-192.9687, 121.7193, 0.3044}, {1413.0042, -210.0314, 0.2938}, {848.1184, -557.9036, 0.2733}, {153.1239, 722.4999, 0.2942}, {1004.5491, -949.1003, 0.2906}, {-395.6312, 359.7555, 0.3055}, {311.9792, 408.2084, 0.2972}, {-106.8166, 13.4903, 0.3033}, {329.7212, 143.3943, 0.3007}, {878.2759, -655.9008, 0.3261}, {370.6529, 140.0817, 0.3003}, {-118.3505, 885.1196, 0.2950}, {-615.6730, 811.3338, 0.3353}};
+
+algorithm
+for i in 1:Nc loop
+  for j in 1:Nc loop
+    for k in 1:2 loop
+      BIP[i, j, k] := 0;
+    end for;
+  end for;
+end for;
+for i in 1:Nc loop
+  for j in 1:Nc loop
+    c_cc[i, j] := CAS[i] + Us + CAS[j];
+    d_cc[i, j] := CAS[j] + Us + CAS[i];
+    for k in 1:352 loop
+      if c_cc[i, j] == CAS_CAS[k] then
+        BIP[i, j, 1] := BIPdb[k, 1];
+        BIP[j, i, 1] := BIPdb[k, 2];
+        BIP[i, j, 2] := BIPdb[k, 3];
+        BIP[j, i, 2] := BIPdb[k, 3];
+      end if;
+      if d_cc[i, j] == CAS_CAS[k] then
+        BIP[j, i, 1] := BIPdb[k, 1];
+        BIP[i, j, 1] := BIPdb[k, 2];
+        BIP[i, j, 2] := BIPdb[k, 3];
+        BIP[j, i, 2] := BIPdb[k, 3];
+      end if;
+    end for;
+  end for;
+end for;
+end BIPNRTL;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/BIPPR.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/BIPPR.mo
new file mode 100644
index 0000000..8122a78
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/BIPPR.mo
@@ -0,0 +1,27 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+ function BIPPR
+ extends Modelica.Icons.Function;
+    input Integer Nc;
+    input String C[Nc];
+    output Real Kij_cc[Nc, Nc];
+  protected
+    String Name;
+    String Namerev;
+    constant String C1_C2[179] = {"Heliumfour_Carbonmonoxide", "Hydrogen_Nitrogen", "Hydrogen_Carbonmonoxide", "Hydrogen_Methane", "Hydrogen_Ethylene", "Hydrogen_Ethane", "Hydrogen_Carbondioxide", "Hydrogen_Propylene", "Hydrogen_Propane", "Hydrogen_Nbutane", "Hydrogen_Nhexane", "Hydrogen_Nheptane", "Hydrogen_Toluene", "Hydrogen_Quinoline", "Hydrogen_Bicyclohexyl", "Hydrogen_Onemethylnaphthalene", "Nitrogen_Carbonmonoxide", "Nitrogen_Argon", "Nitrogen_Oxygen", "Nitrogen_Methane", "Nitrogen_Ethylene", "Nitrogen_Ethane", "Nitrogen_Nitrousoxide", "Nitrogen_Carbondioxide", "Nitrogen_Hydrogensulfide", "Nitrogen_Propylene", "Nitrogen_Propane", "Nitrogen_Ammonia", "Nitrogen_Dichlorodiflouromethane", "Nitrogen_Isobutane", "Nitrogen_Sulfurdioxide", "Nitrogen_Nbutane", "Nitrogen_Isoc5", "Nitrogen_Npentane", "Nitrogen_Methanol", "Nitrogen_Nhexane", "Nitrogen_Benzene", "Nitrogen_Nheptane", "Nitrogen_Noctane", "Nitrogen_Ndecane", "Carbonmonoxide_Methane", "Carbonmonoxide_Ethane", "Carbonmonoxide_Hydrogensulfide", "Carbonmonoxide_Propane", "Argon_Oxygen", "Argon_Methane", "Argon_Ammonia", "Oxygen_Krypton", "Oxygen_Nitrousoxide", "Methane_Ethylene", "Methane_Ethane", "Methane_Nitrousoxide", "Methane_Carbondioxide", "Methane_Carbonylsulfide", "Methane_Propylene", "Methane_Propane", "Methane_Isobutane", "Methane_Sulfurdioxide", "Methane_Nbutane", "Methane_Isoc5", "Methane_Npentane", "Methane_Nhexane", "Methane_Benzene", "Methane_Cyclohexane", "Methane_Nheptane", "Methane_Toluene", "Methane_Noctane", "Methane_Mxylene", "Methane_Nnonane", "Methane_Ndecane", "Methane_Mcresol", "Methane_Tetralin", "Methane_Onemethylnaphthalene", "Methane_Diphenylmethane", "Ethylene_Ethane", "Ethylene_Acetylene", "Ethylene_Carbondioxide", "Ethylene_Nbutane", "Ethylene_Benzene", "Ethylene_Nheptane", "Ethylene_Ndecane", "Carbondioxide_Ethane", "Ethane_Hydrogensulfide", "Ethane_Propylene", "Ethane_Propane", "Ethane_Isobutane", "Ethane_Nbutane", "Ethane_Ethylether", "Ethane_Npentane", "Ethane_Acetone", "Ethane_Methylacetate", "Ethane_Methanol", "Ethane_Nhexane", "Ethane_Benzene", "Ethane_Cyclohexane", "Ethane_Nheptane", "Ethane_Noctane", "Ethane_Ndecane", "Carbondioxide_Nitrousoxidedioxide", "Acetylene_Propylene", "Trifluoromethane_Triflourochloromethane", "Trifluorochloromethane_Dichlorodifluoromethane", "Carbondioxide_Hydrogensulfide", "Carbondioxide_Difluoromethane", "Carbondioxide_Propylene", "Carbondioxide_Propane", "Carbondioxide_Isobutane", "Carbondioxide_Onebutene", "Carbondioxide_Nbutane", "Carbondioxide_Isoc5", "Carbondioxide_Ethylether", "Carbondioxide_Npentane", "Carbondioxide_Methylacetate", "Carbondioxide_Methanol", "Carbondioxide_Nhexane", "Carbondioxide_Benzene", "Carbondioxide_Cyclohexane", "Carbondioxide_Nheptane", "Carbondioxide_Water", "Carbondioxide_Toluene", "Carbondioxide_Ndecane", "Carbondioxide_Nbutylbenzene", "Hydrogensulfide_Propane", "Hydrogensulfide_Isobutane", "Hydrogensulfide_Npentane", "Hydrogensulfide_Water", "Hydrogensulfide_Ndecane", "Propylene_Propane", "Propylene_Isobutane", "Propylene_Onecfour", "Propane_Isobutane", "Propane_Nbutane", "Propane_Isopentane", "Propane_Npentane", "Propane_Nhexane", "Propane_Ethanol", "Propane_Benzene", "Propane_Nheptane", "Propane_Noctane", "Propane_Ndecane", "Pentaflourohloroethane_Difluorochloromethane", "Difluorochloromethane_Dichlorodifluoromethane", "Ammonia_Water", "Ammonia_Watert=two7three.one5k", "Isobutane_Nbutane", "Sulfurdioxide_Benzene", "Onebutene_One", "Onebutene_Nbutane", "One_Threebutadiene", "Nbutane_Npentane", "Nbutane_Nhexane", "Nbutane_Nheptane", "Nbutane_Noctane", "Nbutane_Ndecane", "Npentane_Benzene", "Npentane_Cyclohexane", "Npentane_Nheptane", "Npentane_Noctane", "Two_Twodimethylbutane", "Two_Threedimethylbutane", "Twomethylpentane_Onepentanol", "Onepentanol_Threemethylpentane", "Methanol_Water", "Nhexane_Benzene", "Nhexane_Cyclohexane", "Nhexane_Twopropanol", "Nhexane_Nheptane", "Nhexane_Isopentanol", "Nhexane_Onepentanol", "Cyclohexane_Benzene", "Benzene_Nheptane", "Benzene_Isooctane", "Benzene_Noctane", "Cyclohexene_Cyclohexane", "Cyclohexane_One", "Cyclohexane_Cyclohexanone", "One_Twodichloroethane", "Nheptane_Isooctane", "Nheptane_Twopentanone"};
+    constant Real BIPdb[size(C1_C2, 1)] = {1, 7.1100E-02, 9.1900E-02, 2.6300E-02, 6.3300E-02, -7.5600E-02, 0, 0, 0, 0, -3.00E-02, 0, -1, -1, -1, 0, 3.300E-02, -2.6000E-03, -1.5900E-02, 2.8900E-02, 8.5600E-02, 3.4400E-02, 4.4000E-03, -2.2200E-02, 0, 9.00E-02, 8.7800E-02, 0, 1.0700E-02, 0, 8.00E-02, 7.1100E-02, 9.2200E-02, 0, 0, 0, 0, 0, 0, 0, 3.00E-02, -2.2600E-02, 5.4400E-02, 2.5900E-02, 1.0700E-02, 2.300E-02, 0, 2.5600E-02, 4.7800E-02, 3.7800E-02, -3.3000E-03, 2.5600E-02, 7.9300E-02, 2.8900E-02, 3.300E-02, 1.1900E-02, 2.5600E-02, 0, 2.4400E-02, -5.6000E-03, 2.300E-02, 4.00E-02, 8.0700E-02, 3.8900E-02, 4.0100E-02, 9.700E-02, 4.9600E-02, 8.4400E-02, 4.7400E-02, 4.8900E-02, 0, 0, 0, 8.7400E-02, 1.1900E-02, 6.5200E-02, 5.7800E-02, 9.2200E-02, 3.1100E-02, 1.4400E-02, 2.5300E-02, 0, 8.2200E-02, 8.9000E-03, 1.1000E-03, -6.7000E-03, 8.9000E-03, 1.8100E-02, 7.8000E-03, 0, 0, 2.700E-02, -4.00E-02, 3.2200E-02, 1.7800E-02, 7.4000E-03, 1.8500E-02, 1.4400E-02, 4.8000E-03, 0, 0, 3.3700E-02, 9.7800E-02, 1.700E-02, 9.3300E-02, 0, 0, 5.9300E-02, 0, 0, 4.700E-02, -1.00E-02, -4.9300E-02, 2.200E-02, 0, 7.7400E-02, 0, 0, 6.3000E-03, 0, 0, 0, 6.00E-02, 4.7400E-02, 6.300E-02, 3.9400E-02, 3.3300E-02, 9.6000E-03, -1.4400E-02, 4.0000E-04, -7.8000E-03, 3.3000E-03, 1.1100E-02, 2.6700E-02, 7.0000E-04, 3.1500E-02, 2.3300E-02, 5.6000E-03, 0, 0, 8.7400E-02, 5.2200E-02, 0, 0, -4.0000E-04, 1.5000E-03, 2.2000E-03, 7.0000E-04, 1.4100E-02, 1.7400E-02, -5.6000E-03, 3.3000E-03, 7.4000E-03, 7.8000E-03, 1.8900E-02, 3.7000E-03, 7.4000E-03, 0, 4.5200E-02, 4.6700E-02, 4.6700E-02, 4.7800E-02, -7.7800E-02, 8.9000E-03, -3.000E-03, 8.4400E-02, -7.8000E-03, 4.8500E-02, 4.5600E-02, 1.2600E-02, 1.1000E-03, 4.0000E-04, 3.000E-03, 1.1000E-03, 7.300E-02, 6.5900E-02, 4.300E-02, 4.0000E-04, 6.9300E-02};
+  algorithm
+    for i in 1:Nc loop
+      for j in 1:Nc loop
+        Name := C[i] + "_" + C[j];
+        Namerev := C[j] + "_" + C[i];
+        if i == j then
+          Kij_cc[i, j] := 0;
+        elseif FindString(C1_C2, Name) == (-1) then
+          Kij_cc[i, j] := BIPdb[index(C1_C2, Namerev)];
+        else
+          Kij_cc[i, j] := BIPdb[index(C1_C2, Name)];
+        end if;
+      end for;
+    end for;
+  end BIPPR;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/BIPUNIQUAC.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/BIPUNIQUAC.mo
new file mode 100644
index 0000000..e3cf2d0
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/BIPUNIQUAC.mo
@@ -0,0 +1,37 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+function BIPUNIQUAC
+  extends Modelica.Icons.Function;
+    input Integer Nc;
+    input String C[Nc];
+    output Real BIP[Nc, Nc];
+    constant String Us = "_";
+    String c_cc[Nc, Nc];
+    String d_cc[Nc, Nc];
+    constant String C1_C2[440] = {"Butane_Methanol", "Pentane_Ethanol", "Twomethylbutane_Ethanol", "Hexane_Ethanol", "Hexane_Onepropanol", "Cyclohexane_Onepropanol", "Methylcyclohexane_Phenol", "Isobutylene_Methanol", "Twomethyltwobutene_Methanol", "Twomethyltwobutene_Ethanol", "Onehexene_Methanol", "Onehexene_Ethanol", "Onethreebutadiene_Methanol", "Onethreepentadiene_Methanol", "Transonethreepentadiene_Methanol", "Isoprene_Methanol", "Isoprene_Ethanol", "Cyclopentadiene_Methanol", "Benzene_Chloroform", "Benzene_Phenol", "Benzene_Toluene", "Benzene_Pxylene", "Benzene_Onepropanol", "Toluene_Chloroform", "Toluene_Pxylene", "Acetaldehyde_Water", "Propionicaldehyde_Water", "Propionicaldehyde_Methanol", "Isobutyraldehyde_Water", "Acetone_Chloroform", "Acetone_Benzene", "Acetone_Phenol", "Acetone_Cyclohexane", "Acetone_Toluene", "Acetone_Ethanol", "Twobutanone_Benzene", "Twobutanone_Cyclohexane", "Twobutanone_Toluene", "Twobutanone_Nheptane", "Twobutanone_Water", "Twobutanone_Onepropanol", "Methanol_Water", "Methanol_Chloroform", "Methanol_Ethanol", "Methanol_Acetone", "Methanol_Benzene", "Methanol_Cyclohexane", "Methanol_Toluene", "Methanol_Nheptane", "Methanol_Tetrachloromethane", "Methanol_Tribromomethane", "Methanol_Acetonitrile", "Methanol_Onetwodichloroethane", "Methanol_Aceticacid", "Methanol_Dimethylsulfoxide", "Methanol_Propionicacid", "Methanol_Nndimethylformamide", "Methanol_Propanol", "Methanol_Thiophene", "Methanol_Methylacrylate", "Methanol_Twobutanone", "Methanol_Tetrahyrofuran", "Methanol_Onefourdioxane", "Methanol_Ethylacetate", "Methanol_Sulfolane", "Methanol_Onebutanol", "Methanol_Twobutanol", "Methanol_Tertbutanol", "Methanol_Onefourbutanediol", "Methanol_Pyridine", "Methanol_Methylmethacrylate", "Methanol_Methylisopropylketone", "Methanol_Threepentanone", "Methanol_Piperidine", "Methanol_Hexafluorobenzene", "Methanol_Chlorobenzene", "Methanol_Aniline", "Methanol_Twomethylpyridine", "Methanol_Threemethylpyridine", "Methanol_Fourmethylpyridine", "Methanol_Cyclohexene", "Methanol_Nbutylacetate", "Methanol_Hexane", "Methanol_Triethylamine", "Methanol_Twomethylphenol", "Methanol_Two6dimethylpyridine", "Methanol_Oneheptane", "Methanol_Methylcyclohexane", "Methanol_Heptane", "Methanol_Ethylbenzene", "Methanol_Mxylene", "Methanol_Pxylene", "Methanol_Oneoctene", "Methanol_Octane", "Methanol_Twotwofourtrimethylpentane", "Methanol_Onedodecanol", "Methanol_Oleic acid", "Ethanol_Water", "Ethanol_Chloroform", "Ethanol_Acetone", "Ethanol_Twobutanone", "Ethanol_Benzene", "Ethanol_Cyclohexane", "Ethanol_Toluene", "Ethanol_Nheptane", "Ethanol_Pxylene", "Ethanol_Tetrachloroethylene", "Ethanol_Acetonitrile", "Ethanol_Onetwodichloroethane", "Ethanol_Acetic acid", "Ethanol_Onetwoethanediol", "Ethanol_Twopropanol", "Ethanol_Onetwopropanediol", "Ethanol_Thiophene", "Ethanol_Onefourdioxane", "Ethanol_Sulfolane", "Ethanol_Morpholine", "Ethanol_Twobutanol", "Ethanol_Twomethylonepropanol", "Ethanol_Pyridine", "Ethanol_Methylmethacrylate", "Ethanol_Methylisopropyl", "Ethanol_Propylacetate", "Ethanol_Threemethylonebutanol", "Ethanol_Bromobenzene", "Ethanol_Chlorobezene", "Ethanol_Aniline", "Ethanol_Twomethylpyridine", "Ethanol_Threemethylpyridine", "Ethanol_Cyclohexanol", "Ethanol_Butylacetate", "Ethanol_Dipropylether", "Ethanol_Triethylamine", "Ethanol_Anisole", "Ethanol_Two6dimethylpyridine", "Ethanol_Pentylacetate", "Ethanol_Heptane", "Ethanol_Ethylbezene", "Ethanol_Octane", "Ethanol_Twotwofourtrimethylpentane", "Ethanol_Hexadecane", "Ethanol_Oleicacid", "Onepropanol_Water", "Onepropanol_Tetrachloroethylene", "Onepropanol_Aceticacid", "Onepropanol_Propionicacid", "Onepropanol_Twomethoxyethanol", "Propylamine_Onepropanol", "Onepropanol_Methacrylicacid", "Onepropanol_Twomethylonepropanol", "Onepropanol_Pyridine", "Onepropanol_Methylmethacrylate", "Onepropnaol_Propylacetate", "Onepropanol_Threemethylbutanol", "Onepropnaol_Chlorobenzene", "Onepropanol_Twomethylpyridine", "Onepropanol_Threemethylpyridine", "Onepropanol_Fourmethylpyridine", "Onepropanol_Propylpropionate", "Onepropanol_Dipropylamine", "Onepropanol_Hexamethyldisiloxane", "Onepropanol_Toluene", "Onepropnaol_Two6dimethylpyridine", "Onepropanol_Heptane", "Onepropanol_Pxylene", "Onepropanol_Octane", "Onepropanol_Decane", "Onepropanol_Onedecanol", "Twopropanol_Water", "Twopropanol_Onepropanol", "Isobutanol_Water", "Tertbutanol_Water", "Allylalcohol_Water", "Methylformate_Methanol", "Methylacetate_Water", "Methylacetate_Methanol", "Methylacetate_Ethanol", "Ethylacetate_Water", "Ethylacetate_Ethanol", "Vinylacetate_Ethanol", "Diethylether_Water", "Diethylether_Methanol", "Diethylether_Ethanol", "Diisopropylether_Water", "Methyltertbutylether_Methanol", "Dimethoxymethane_Water", "Dimethoxymethane_Methanol", "Ethyleneoxide_Water", "Propyleneoxide_Methanol", "Tetrahydrofuran_Water", "Tetrahydrofuran_Ethanol", "Tetrahydrofuran_Onepropanol", "Tetrachloromethane_Methanol", "Tertachloromethane_Onepropanol", "Vinylcloride_Methanol", "Dichloromethane_Methanol", "Dichloromethane_Ethanol", "Chloroform_Methanol", "Chloroform_Ethanol", "Onetwodichloroethane_Onepropanol", "Trichloroethylene_Onepropanol", "Threechloroonepropene_Water", "Butylchloride_Onepropanol", "Dimethylamine_Water", "Dimethylamine_Methanol", "Dimethylamine_Ethanol", "Dimethylamine_Onepropanol", "Ethylamine_Water", "Triethylamine_Water", "Triethylamine_Onepropanol", "Diethylamine_Water", "Diethylamine_Ethanol", "Propylamine_Water", "Nbutylamine_Water", "Butylamine_Ethanol", "Butylamine_Onepropanol", "Isopropylamine_Water", "Acetonitrile_Water", "Propionitrile_Water", "Acrylonitrile_Water", "Hexafluorobenzene_Onepropnaol", "Water_Acetone", "Water_Twobutanone", "Water_Phenol", "Water_Aceticacid", "Water_Nmethylformamide", "Water_Dimethylsulfoxide", "Water_Ethylenediamine", "Water_Acrylicacid", "Water_Propionicacid", "Water_Onethreefivetrioxane", "Water_Nndimethylformamide", "Water_Onefourdioxane", "Water_Sulfolane", "Water_Nndimethylacetamide", "Water_Morpholine", "Water_Nbutanol", "Water_Onefourbutanediol", "Water_Twothreebutanediol", "Water_Diethylenegylcol", "Water_Furfural", "Water_Pyridine", "Water_Nmethylpyrrolidone", "Water_Threemethylbutanol", "Water_Twomethyltwobutanol", "Water_Aniline", "Water_Twomethylpyridine", "Water_Threemethylpyridine", "Water_Fourmethylpyridine", "Water_Phenylhydrazine", "Water_Cyclohexanone", "Water_Mesityloxide", "Water_Cyclohexanol", "Water_Nbutylacetate", "Water_Diacetonealcohol", "Water_Onehexanol", "Water_Twohexanol", "Water_Twobutoxyethanol", "Water_Benzylalcohol", "Water_Two6dimethylpyridinr", "Water_Isopentylacetate", "Water_Acetophenone", "Water_Quinoline", "Water_Isopropylbenzene", "Halothane_Methanol", "Methanol_Formamide", "Methane_Acetone", "Methane_Propane", "Methane_Nbutane", "Methane_Npentane", "Methane_Benzene", "Methane_Nhexane", "Methane_Ndecane", "Ethane_Nheptane", "Ibutane_Nbutane", "Npentane_Acetone", "Nhexane_Nitroethane", "Nhexane_Aniline", "Nhexane_Methylcyclop", "Nhexane_Toluene", "Nheptane_Benzene", "Nheptane_Toluene", "Nctane_Nitroethane", "Nctane_Ipropanol", "Twotwofourtrimethylpentane_Nitroethane", "Twotwofourtrimethylpentane_Furfural", "Twotwofourtrimethylpentane_Benzene", "Twotwofourtrimethylpentane_Cyclohexane", "Twotwofourtrimethylpentane_Toluene", "Ndecane_Npropanol", "Ndecane_Nbutanol", "Ndecane_Ipropanol", "Cyclopentane_Benzene", "Methylcyclopentane_Benzene", "Methylcyclopentane_Toluene", "Cyclohexane_Nitromethan", "Cyclohexane_Npropanol", "Cyclohexane_Nbutanol", "Cyclohexane_Benzene", "Cyclohexane_Methylcyclop", "Cyclohexane_Nhexane", "Cyclohexane_Toluene", "Cyclohexane_Heptane", "Methylcyclohexane_Toluene", "Onebutene_Ibutane", "Onebutene_Propane", "Onebutene_Nbutane", "Benzene_Twobutanone", "Benzene_Nbutanol", "Benzene_Nhexane", "Benzene_Water", "Toluene_Furfural", "Hydrogen_Methanol", "Hydrogen_Acetone", "Hydrogen_Benzene", "Hydrogen_Nhexane", "Hydrogen_Mxylene", "Hydrogen_Nctane", "Hydrogen_Water", "Hydrogen_Ammonia", "Nitrogen_Nbutane", "Nitrogen_Nhexane", "Nitrogen_Water", "Nitrogen_Ammonia", "Carbonmonoxide_Methanol", "Carbonmonoxide_Acetone", "Carbonmonoxide_Benzene", "Carbonmonoxide_Nctane", "Acetaldehyde_Aceticacid", "Acetaldehyde_Vinylacetat", "Acetone_Carbontetra", "Acetone_Acetonitrile", "Acetone_Methanol", "Acetone_Aceticacid", "Acetone_Furfural", "Acetone_Nhexane", "Acetone_Water", "Acetone_Vinylacetat", "Methanol_Carbontetra", "Methanol_Ipropanol", "Methanol_Ethylacetat", "Methanol_Diethylamin", "Methanol_Methylisobut", "Methanol_Nhexane", "Methanol_Two.threedimethyl", "Methanol_Triethylamin", "Methanol_Anisole", "Ethanol_One.twodichloro", "Ethanol_Aceticacid", "Ethanol_Npropanol", "Ethanol_Tertbutanol", "Ethanol_Methylcyclop", "Ethanol_Nhexane", "Ethanol_Methylcyclo", "Ethanol_Nctane", "Ethanol_Twotwofourtrimethyl", "Ethanol_Ndecane", "Npropanol_Carbontetra", "Npropanol_Aceticacid", "Npropanol_Benzene", "Npropanol_Nhexane", "Npropanol_Toluene", "Npropanol_Nheptane", "Npropanol_Water", "Ipropanol_Ethylacetat", "Ipropanol_Benzene", "Ipropanol_Nheptane", "Ipropanol_Water", "Ipropanol_Twotwofourtrimethyl", "Nbutanol_Carbontetra", "Nbutanol_Aceticacid", "Nbutanol_Nhexane", "Nbutanol_Nheptane", "Nbutanol_Nctane", "Ibutanol_Benzene", "Secbutanol_Benzene", "Tertbutanol_Benzene", "Formicacid_Aceticacid", "Aceticacid_Toluene", "Aceticacid_Nheptane", "Propionicacid_Methylisobut", "Propionicacid_Nctane", "Methylacetate_Chloroform", "Methylacetate_Benzene", "Ethylacetate_Aceticacid", "Ethylacetate_Npropanol", "Ethylacetate_Furfural", "Ethylacetate_Benzene", "Ethylacetate_Toluene", "Ethylacetate_Ethylbenzen", "Vinylacetate_Aceticacid", "Vinylacetate_Water", "Dioxane_Benzene", "Carbontetrachloride_Acetonitrile", "Carbontetrachloride_Ethanol", "Carbontetrachloride_Furfural", "Carbontetrachloride_Benzene", "Carbontetrachloride_Cyclohexane", "Carbontetrachloride_Methylcyclop", "Carbontetrachloride_Toluene", "Carbontetrachloride_Nheptane", "Dichloromethane_Dichloroetan", "Chloroform_Carbontetra", "Chloroform_Formicacid", "Chloroform_Aceticacid", "Chloroform_Ethylacetate", "Chloroform_Benzene", "Nitromethane_Carbontetra", "Nitromethane_Benzene", "Nitroethane_Carbontetra", "Nitroethane_Npropanol", "Nitroethane_Benzene", "Onenitropropane_Carbontetra", "Onenitropropane_Benzene", "Twonitropropane_Carbontetra", "Twonitropropane_Benzene", "Twonitropropane_Nhexane", "Acetonitrile_Benzene", "Acetonitrile_Nheptane", "Acrylonitrile_Acetonitrile", "Aniline_Methylcyclop", "Furfural_Onebutene", "Furfural_Nbutane", "Furfural_Ibutane", "Furfural_Benzene", "Furfural_Cyclohexane", "Water_Formicacid", "Water_Acetonitrile", "Water_Nitroethane", "Water_Dioxane", "Water_Onebutene", "Water_Ibutane", "Water_Toluene", "Water_Acrylonitril", "Water_Cisbutenetwo", "Water_Transbutene", "Water_Isobutene", "Water_Butadiene", "Carbondisulfide_Methanol", "Carbondisulfide_Acetone"};
+    constant Real BIPdb[440, 2] = {{1289.4881, 6.7114}, {938.0838, -112.7209}, {849.013, -56.7699}, {1056.8977, -135.5484}, {743.1034, -127.2476}, {1251.6417, -391.9511}, {1525.5351, -516.0584}, {1403.5125, -70.3003}, {1499.6766, -66.3796}, {983.1208, -123.8651}, {1329.9294, -21.5842}, {970.6914, -128.7022}, {1300.2481, -72.9715}, {1489.1438, -97.747}, {1477.5985, -92.9294}, {1514.3534, -144.3088}, {912.9208, -118.3758}, {1410.4509, -61.3753}, {-119.7224, -29.4499}, {72.2429, 197.453}, {70.7224, -58.3017}, {5.7397, 0.5699}, {378.6125, 20.5261}, {860.8206, -554.8868}, {121.3912, -119.706}, {-1132.16, -231.7521}, {735.9692, 208.343}, {416.3831, -377.9488}, {1263.005, -81.883}, {1566.0069, -781.5877}, {-358.9226, 604.28}, {-468.3882, 27.3851}, {-77.5361, 543.595}, {-315.279, 555.7418}, {94.5536, 117.867}, {-300.8429, 385.863}, {146.0313, 100.2596}, {366.3689, -250.2784}, {-184.485, 559.8999}, {775.153, 30.4806}, {147.6576, -8.2705}, {-337.1298, 549.2958}, {-271.0633, 1304.9835}, {-474.7791, 762.8153}, {-84.2364, 403.8524}, {-67.7213, 1117.8797}, {-32.2887, 1703.2055}, {-58.1103, 1190.6454}, {17.9144, 1360.0217}, {-95.2921, 1463.4548}, {-92.0642, 984.2538}, {101.9628, 334.9587}, {-80.7067, 1094.1304}, {-40.7254, -51.0491}, {-366.7607, 84.4189}, {7.1816, 0.3295}, {-156.3839, 103.9406}, {-26.2861, 113.5565}, {-265.3781, 1099.9741}, {-25.1614, 600.3028}, {-136.0158, 584.0634}, {-153.2518, 629.7314}, {-19.0988, 451.089}, {-138.9829, 770.3047}, {-28.6882, 675.1045}, {40.3898, 121.5049}, {471.807, -279.7321}, {-291.983, 403.6892}, {-286.6527, 490.8909}, {425.4563, -393.3415}, {-98.6602, 843.2593}, {-100.1669, 594.2312}, {-83.8392, 609.2057}, {-383.9791, 153.8253}, {-90.0876, 1245.166}, {-118.0717, 1402.7818}, {-144.7753, 517.8626}, {-603.5633, 950.103}, {-206.2407, 81.4664}, {-78.8509, -53.173}, {-38.5257, 1529.9926}, {-174.2617, 892.9417}, {38.3254, 1391.4917}, {-318.8007, 905.0708}, {-502.2428, 548.3889}, {-272.5909, 272.4921}, {-12.605, 1363.9261}, {1.0023, 1552.7297}, {-27.9877, 1578.6097}, {-57.095, 1259.4286}, {-41.7377, 1208.1529}, {-47.6694, 1231.2086}, {-32.2567, 1396.3019}, {-32.7911, 1561.8955}, {-59.6929, 1577.3145}, {18.9334, 484.2757}, {-149.1808, 952.0283}, {173.801, 109.8687}, {-305.3246, 881.3549}, {94.2417, 98.7523}, {-25.7234, 250.3958}, {-127.9893, 744.8826}, {-153.0128, 1100.3231}, {-97.5633, 698.6183}, {-150.277, 1127.5232}, {-63.9673, 664.259}, {-61.6485, 783.4873}, {392.2083, 91.3933}, {-39.1051, 669.688}, {-25.2901, -86.9343}, {818.093, -200.1567}, {437.5184, -324.6275}, {181.0206, -57.8238}, {-77.9585, 662.4746}, {50.8172, 212.2982}, {177.7675, 306.35}, {-712.473, 1116.7138}, {-311.9029, 474.5511}, {-117.4292, 220.9133}, {378.8209, -378.8991}, {-105.4041, 544.4089}, {-260.5944, 652.4019}, {-13.0186, 405.1733}, {82.3751, -18.3336}, {-169.9204, 998.8196}, {-205.6039, 1032.724}, {1262.584, -446.4834}, {139.4905, -225.4203}, {-578.9542, 942.9023}, {634.1484, -339.732}, {-38.4912, 384.6715}, {-177.4837, 780.0513}, {-305.4069, 674.3341}, {928.9185, -379.9781}, {-432.4206, 583.2958}, {-161.4264, 631.1662}, {-115.7807, 1040.2891}, {-127.6343, 841.5199}, {-152.8323, 1156.688}, {-165.9382, 1120.4853}, {-401.4408, 1783.7857}, {-180.7604, 627.9668}, {190.5947, 290.554}, {-13.5513, 473.6899}, {-729.0848, 1660.0903}, {-83.3064, -4.418}, {-300.7498, 511.0851}, {-274.4208, 15.9476}, {114.789, -169.5098}, {47.0059, -46.6524}, {423.4439, -423.9207}, {-27.435, 256.1456}, {-91.8942, 278.7259}, {-19.2402, 27.9161}, {1.3035, 311.4544}, {163.7157, -281.9383}, {199.1862, -290.3666}, {180.7309, -293.8268}, {-585.5214, 1186.3162}, {-1.1304, 48.1557}, {-218.4928, 677.0367}, {-1.7464, 340.4905}, {-595.2165, 936.7248}, {-91.2018, 743.266}, {-74.7475, 427.6292}, {-48.752, 525.9933}, {-175.9432, 744.763}, {89.4506, 31.0832}, {327.443, 64.4408}, {103.5993, -103.7179}, {350.1707, 309.5428}, {230.5098, 271.3048}, {281.7442, 47.6526}, {623.2636, -2.0107}, {830.7943, 47.5023}, {611.2312, -70.982}, {267.0169, -79.2922}, {1441.5619, -205.7336}, {436.0416, -98.562}, {483.9533, -67.6116}, {1198.9207, 102.271}, {906.3646, -157.3556}, {642.6982, -171.8091}, {1415.2748, 81.2811}, {1024.985, -203.711}, {1098.9416, -44.1418}, {657.2765, -4.6934}, {10542.2026, -344.1682}, {791.0185, -210.2403}, {835.2626, 10.5163}, {559.1539, -260.1951}, {381.8256, -244.669}, {1029.3332, -171.0842}, {957.274, -252.3762}, {7661.2894, -187.7083}, {1516.5558, -229.3734}, {796.2935, -172.0713}, {1295.4282, -271.461}, {981.7658, -335.4504}, {272.4952, 107.634}, {538.1802, -90.5235}, {1260.1312, 81.3308}, {748.22, -172.7007}, {-1070.3252, 1057.3916}, {-520.5358, -200.8021}, {-1071.4286, 1018.5371}, {-71.2521, -231.1124}, {149.3345, -412.065}, {242.4137, 2458.766}, {701.924, -371.1197}, {721.1889, -312.3228}, {-613.4553, 1006.1474}, {426.0894, -302.8076}, {-379.6694, 874.815}, {-17.1391, -220.6087}, {-188.4751, -68.9772}, {-553.685, 1001.0323}, {266.3109, 332.5988}, {367.0686, 510.5582}, {395.4004, 537.1531}, {535.7543, -38.2344}, {-110.3829, 698.7989}, {752.9217, 39.6746}, {934.8834, -501.3763}, {-251.6868, 407.0073}, {-867.7066, 2091.772}, {-292.3021, -523.6271}, {-175.0216, -724.876}, {-417.4722, 1189.9025}, {486.4688, -146.6582}, {-210.5536, 915.1339}, {639.5742, -556.8715}, {-444.013, 1302.0378}, {-397.8616, 997.3999}, {453.4841, -463.0383}, {933.6195, -802.5279}, {548.2453, 89.0444}, {-370.3689, 1635.7568}, {489.1312, -286.7611}, {-346.2827, 900.5916}, {537.7334, -36.221}, {-56.5403, -97.5005}, {-801.2765, 1402.6755}, {819.6231, -223.7898}, {-178.9352, 1021.7979}, {-91.7122, 485.3384}, {-657.2675, 1253.468}, {1280.6209, -655.1387}, {-358.5748, 333.911}, {-334.1695, 857.6208}, {316.6082, 95.0342}, {-56.9399, 1043.7692}, {-286.8493, 1023.7144}, {394.2396, 756.4163}, {-351.0861, 1188.5242}, {-9.7248, 802.6348}, {-172.0599, 1138.3704}, {-178.571, 670.1422}, {83.4921, 304.0167}, {-497.9465, 893.7955}, {-250.5667, 1438.236}, {234.4706, 641.1422}, {-847.2235, 663.5428}, {-310.5637, 1655.4649}, {1653.8373, -379.2679}, {319.3243, -34.2606}, {-0.26, 471}, {-2.01, 604}, {-2.05, 731}, {-1.32, 509}, {-0.38, 473}, {-0.06, 94}, {-0.24, 150}, {264.89, -112.61}, {1, 1}, {266.31, -22.83}, {230.64, -5.86}, {283.76, 34.82}, {-138.84, 162.13}, {34.27, 4.3}, {245.42, -135.93}, {108.24, -72.96}, {333.48, -30.98}, {1107.44, -166.18}, {236.48, 10.66}, {410.08, -4.98}, {80.91, -27.13}, {141.01, -112.66}, {141.11, -94.6}, {1137.2, -201.82}, {1430.77, -259.67}, {1074.76, -207.27}, {15.19, 33.15}, {56.47, -6.47}, {89.77, -48.05}, {517.19, 105.01}, {1284.75, -173.42}, {1393.11, -196.9}, {-32.57, 88.26}, {144.37, -118.82}, {172.73, -145.56}, {83.67, -44.04}, {-76.36, 98.22}, {210.35, -134.19}, {-23.03, 35.11}, {126.71, -98.63}, {-23.03, 35.11}, {350.47, -226.16}, {928.9, -181.24}, {-77.13, 132.43}, {2057.42, 115.13}, {74.87, 244.12}, {3.94, 218}, {3.23, 218}, {1.97, 810}, {2.99, -4}, {2.09, 765}, {-0.05, 1646}, {9.97, -880}, {0.68, 1344}, {-1.67, 814}, {0.07, 336}, {3.76, 913}, {-3.35, 2098}, {0.83, 552}, {0.48, 408}, {-1.04, 1062}, {-3.38, 1878}, {458.43, -212.77}, {-117.74, 243.51}, {-92.32, 246.68}, {-176.38, 261.53}, {359.1, -96.9}, {461.81, -262.3}, {-101.3, 195.63}, {-33.08, 261.51}, {530.99, -100.71}, {-82.48, 110.6}, {-29.64, 1127.95}, {-24.85, 31.22}, {-107.54, 579.61}, {-374.88, 676.42}, {-105.94, 688.03}, {-2.66, 1636.05}, {-7.18, 1463.9}, {-186.66, 664.29}, {-48.39, 782.28}, {-105.66, 929.71}, {-210.53, 244.67}, {210.95, -67.7}, {-2.62, 9.24}, {-118.27, 1383.93}, {-108.93, 1441.57}, {-117.57, 1340.56}, {-109.08, 1385.91}, {-120.42, 1449.61}, {-127.48, 1254.65}, {-166.93, 1336.03}, {299.33, 445.77}, {-155.1, 928.5}, {-144.11, 1326.05}, {-195.4, 818.34}, {-160.43, 1306.22}, {78.37, 583.03}, {-190.57, 522.07}, {-145.52, 854.75}, {-162.54, 1295.6}, {217.23, 11.59}, {-198.06, 994}, {-188.77, 1248.17}, {-296.3, 546.68}, {-159.24, 1370.74}, {-251.11, 1291.98}, {-236.21, 1098.91}, {-162.39, 861.06}, {784.99, -168.83}, {744.89, -165.4}, {-144.58, 241.64}, {-67.91, 298.09}, {-8.49, 342.57}, {-78.49, 136.46}, {-183.2, 556.12}, {-187.87, 121.17}, {203.46, -143.88}, {-214.39, 63.04}, {539.64, -190.31}, {-19.15, 48.52}, {233.81, -181.49}, {309.41, -214.26}, {137.11, -105.5}, {330.03, -124.12}, {1557.23, 131.36}, {363.78, -197.65}, {458.86, -40.18}, {1192.49, -135.27}, {476.85, -100.42}, {-37.52, 43.39}, {98.18, -84.82}, {161.96, -129.21}, {-168.53, 203.67}, {88.3, -59.13}, {1, 1}, {-14.74, 38.19}, {461.38, 90.36}, {346.43, -98.44}, {24.16, -119.49}, {4.98, -50.53}, {0.59, 398.4}, {73.79, 82.2}, {73.06, 295.06}, {574.22, -94.39}, {16.61, 46.05}, {-95.68, 267.13}, {535.16, -246.81}, {-134.32, 307.25}, {794.91, -344.15}, {-32.95, 252.2}, {60.28, 89.57}, {23.71, 545.79}, {183.65, -142.35}, {54.36, 228.71}, {49.12, 242.1}, {88.87, 257.71}, {97.14, 268}, {71, 12}, {41.17, 354.83}, {-508.85, 1019.29}, {122.02, 122.07}, {138.44, 920.08}, {-328.7, 927.26}, {590.17, 777.95}, {646.79, 1173.23}, {305.71, 1371.36}, {155.78, 471.21}, {356.45, -18.31}, {356.45, -18.31}, {346.74, 657.5}, {496.1, 270.6}, {1166.49, 138.15}, {157.31, 103.91}};
+  algorithm
+    for i in 1:Nc loop
+      for j in 1:Nc loop
+        for k in 1:2 loop
+          BIP[i, j] := 0;
+        end for;
+      end for;
+    end for;
+    for i in 1:Nc loop
+      for j in 1:Nc loop
+        c_cc[i, j] := C[i] + Us + C[j];
+        d_cc[i, j] := C[j] + Us + C[i];
+        for k in 1:440 loop
+          if c_cc[i, j] == C1_C2[k] then
+            BIP[i, j] := BIPdb[k, 1];
+            BIP[j, i] := BIPdb[k, 2];
+          end if;
+          if d_cc[i, j] == C1_C2[k] then
+            BIP[j, i] := BIPdb[k, 1];
+            BIP[i, j] := BIPdb[k, 2];
+          end if;
+        end for;
+      end for;
+    end for;
+  end BIPUNIQUAC;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/Dens.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/Dens.mo
new file mode 100644
index 0000000..96ed37a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/Dens.mo
@@ -0,0 +1,24 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function Dens
+    //This function is developed by swaroop katta
+    //this function calculates density of pure componets as a function of temperature using chemsep database.
+    extends Modelica.Icons.Function;
+    input Real LiqDen[6], Tc, T, P;
+    output Real rho "units kmol/m3";
+  protected
+    Real Tr;
+  protected
+    parameter Real R = 8.314 "gas constant";
+  algorithm
+    Tr := T / Tc;
+    if T < Tc then
+      if LiqDen[1] == 105 then
+        rho := LiqDen[2] / LiqDen[3] ^ (1 + (1 - T / LiqDen[4]) ^ LiqDen[5]) * 1000;
+      elseif LiqDen[1] == 106 then
+        rho := LiqDen[2] * (1 - Tr) ^ (LiqDen[3] + LiqDen[4] * Tr + LiqDen[5] * Tr ^ 2 + LiqDen[6] * Tr ^ 3) * 1000;
+      end if;
+    else
+      rho := P / (R * T * 1000);
+    end if;
+  end Dens;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/DensityRacket.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/DensityRacket.mo
new file mode 100644
index 0000000..15a2c77
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/DensityRacket.mo
@@ -0,0 +1,49 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function DensityRacket
+  extends Modelica.Icons.Function;
+  input Integer Nc;
+  input Real T;
+  input Real P;
+  input Real Pc_c[Nc];
+  input Real Tc_c[Nc];
+  input Real RP_c[Nc];
+  input Real AF_c[Nc];
+  input Real MW_c[Nc];
+  input Real Psat[Nc];
+  output Real rho_c[Nc];
+  parameter Real R = 83.14;
+protected
+  Real Tr_c[Nc], Pcbar_c[Nc], temp[Nc], Tcor_c[Nc], a, b, c_c[Nc], d, e_c[Nc], Beta_c[Nc], f, g, h, j, k, RPnew_c[Nc];
+algorithm
+  for i in 1:Nc loop
+    Pcbar_c[i] := Pc_c[i] / 100000;
+    Tr_c[i] := T / Tc_c[i];
+    if Tr_c[i] > 0.99 then
+      Tr_c[i] := 0.5;
+    end if;
+    if RP_c[i] == 0 then
+      RPnew_c[i] := 0.29056 - 0.08775 * AF_c[i];
+    else
+      RPnew_c[i] := RP_c[i];
+    end if;
+    temp[i] := R * (Tc_c[i] / Pcbar_c[i]) * RPnew_c[i] ^ (1 + (1 - Tr_c[i]) ^ (2 / 7));
+    if T < Tc_c[i] then
+      a := -9.070217;
+      b := 62.45326;
+      d := -135.1102;
+      f := 4.79594;
+      g := 0.250047;
+      h := 1.14188;
+      j := 0.0861488;
+      k := 0.0344483;
+      e_c[Nc] := exp(f + g * AF_c[i] + h * AF_c[i] * AF_c[i]);
+      c_c[Nc] := j + k * AF_c[i];
+      Beta_c[i] := Pc_c[i] * ((-1) + a * (1 - Tr_c[i]) ^ (1 / 3) + b * (1 - Tr_c[i]) ^ (2 / 3) + d * (1 - Tr_c[i]) + e_c[i] * (1 - Tr_c[i]) ^ (4 / 3));
+      Tcor_c[i] := temp[i] * (1 - c_c[i] * log((Beta_c[i] + P) / (Beta_c[i] + Psat[i])));
+      rho_c[i] := 0.001 * MW_c[i] / (Tcor_c[i] * 0.000001);
+    else
+      rho_c[i] := 0.001 * MW_c[i] / (temp[i] * 0.000001);
+    end if;
+  end for;
+end DensityRacket;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstant1V.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstant1V.mo
new file mode 100644
index 0000000..2b28bf0
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstant1V.mo
@@ -0,0 +1,16 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+function EOSConstant1V
+  extends Modelica.Icons.Function;
+  input Integer Nc;
+  input Real compMolFrac[Nc];
+  input Real a_ij[Nc, Nc];
+  output Real amv;
+protected
+  Real amvv[Nc];
+algorithm
+  for i in 1:Nc loop
+    amvv[i] := sum(compMolFrac[i] .* compMolFrac[:] .* a_ij[i, :]);
+  end for;
+  amv := sum(amvv[:]);
+end EOSConstant1V;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstantII.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstantII.mo
new file mode 100644
index 0000000..6a9f9f4
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstantII.mo
@@ -0,0 +1,14 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+function EOSConstantII
+  extends Modelica.Icons.Function;
+  parameter Real R_gas = 8.314;
+  input Integer Nc;
+  input Real Tc[Nc], Pc[Nc];
+  input Real T;
+  output Real b[Nc];
+algorithm
+  for i in 1:Nc loop
+    b[i] := 0.08664 * R_gas * (Tc[i] / Pc[i]);
+  end for;
+end EOSConstantII;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstantIII.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstantIII.mo
new file mode 100644
index 0000000..bfcc5be
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstantIII.mo
@@ -0,0 +1,12 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+function EOSConstantIII
+  extends Modelica.Icons.Function;
+  input Integer Nc;
+  input Real a[Nc];
+  output Real a_ij[Nc, Nc];
+algorithm
+  for i in 1:Nc loop
+    a_ij[i, :] := (a[i] .* a[:]) .^ 0.5;
+  end for;
+end EOSConstantIII;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstants.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstants.mo
new file mode 100644
index 0000000..5027815
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/EOSConstants.mo
@@ -0,0 +1,14 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+function EOSConstants
+  extends Modelica.Icons.Function;
+  parameter Real R_gas = 8.314;
+  input Integer Nc;
+  input Real Tc[Nc], Pc[Nc];
+  input Real T;
+  output Real a[Nc];
+algorithm
+  for i in 1:Nc loop
+    a[i] := 0.42748 * R_gas ^ 2 * (Tc[i] ^ 2.5 / (Pc[i] * T ^ 0.5));
+  end for;
+end EOSConstants;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/FindString.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/FindString.mo
new file mode 100644
index 0000000..b71e249
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/FindString.mo
@@ -0,0 +1,19 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function FindString
+    extends Modelica.Icons.Function;
+    input String Comp_A[:];
+    input String Comp;
+    output Integer Int;
+  protected
+    Integer i, Len = size(Comp_A, 1);
+  algorithm
+    Int := -1;
+    i := 1;
+    while Int == (-1) and i <= Len loop
+      if Comp_A[i] == Comp then
+        Int := i;
+      end if;
+      i := i + 1;
+    end while;
+  end FindString;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/HLiqId.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/HLiqId.mo
new file mode 100644
index 0000000..58fabec
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/HLiqId.mo
@@ -0,0 +1,14 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function HLiqId
+    /* Calculates Enthalpy of Ideal Liquid*/
+    extends Modelica.Icons.Function;
+    input Real SH(unit = "J/kmol") "from chemsep database std. Heat of formation";
+    input Real VapCp[6] "from chemsep database";
+    input Real HOV[6] "from chemsep database";
+    input Real Tc "critical temp, from chemsep database";
+    input Real T(unit = "K") "Temperature";
+    output Real Hliq(unit = "J/mol") "Molar Enthalpy";
+  algorithm
+    Hliq := HVapId(SH, VapCp, HOV, Tc, T) - ThermodynamicFunctions.HV(HOV, Tc, T);
+  end HLiqId;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/HV.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/HV.mo
new file mode 100644
index 0000000..e558974
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/HV.mo
@@ -0,0 +1,18 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function HV
+    /*Returns Heat of Vaporization*/
+    extends Modelica.Icons.Function;
+    input Real HOV[6] "from chemsep database";
+    input Real Tc(unit = "K") "Critical Temperature";
+    input Real T(unit = "K") "Temperature";
+    output Real Hvap(unit = "J/mol") "Heat of Vaporization";
+  protected
+    Real Tr = T / Tc;
+  algorithm
+    if T < Tc then
+      Hvap := HOV[2] * (1 - Tr) ^ (HOV[3] + HOV[4] * Tr + HOV[5] * Tr ^ 2 + HOV[6] * Tr ^ 3) / 1000;
+    else
+      Hvap := 0;
+    end if;
+  end HV;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/HVapId.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/HVapId.mo
new file mode 100644
index 0000000..7e681c2
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/HVapId.mo
@@ -0,0 +1,20 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function HVapId
+    /* Calculates enthalpy of ideal vapor */
+    extends Modelica.Icons.Function;
+    input Real SH(unit = "J/kmol") "from chemsep database std. Heat of formation";
+    input Real VapCp[6] "from chemsep database";
+    input Real HOV[6] "from chemsep database";
+    input Real Tc "critical temp, from chemsep database";
+    input Real T(unit = "K") "Temperature";
+    output Real Hvap(unit = "J/mol") "Molar Enthalpy";
+  protected
+    Integer n = 100;
+    Real Cp[n - 1];
+  algorithm
+    for i in 1:n - 1 loop
+      Cp[i] := VapCpId(VapCp, 298.15 + i * (T - 298.15) / n);
+    end for;
+    Hvap := (T - 298.15) * (VapCpId(VapCp, T) / 2 + sum(Cp[:]) + VapCpId(VapCp, 298.15) / 2) / n;
+  end HVapId;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/LiqCpId.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/LiqCpId.mo
new file mode 100644
index 0000000..66a7dbf
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/LiqCpId.mo
@@ -0,0 +1,11 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function LiqCpId
+    /*Calculates specific heat of liquid at given Temperature*/
+    extends Modelica.Icons.Function;
+    input Real LiqCp[6] "from chemsep database";
+    input Real T(unit = "K") "Temperature";
+    output Real Cpliq(unit = "J/mol") "Specific heat of liquid";
+  algorithm
+    Cpliq := (LiqCp[2] + exp(LiqCp[3] / T + LiqCp[4] + LiqCp[5] * T + LiqCp[6] * T ^ 2)) / 1000;
+  end LiqCpId;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/LiquidFugacityCoeffcient.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/LiquidFugacityCoeffcient.mo
new file mode 100644
index 0000000..94069ee
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/LiquidFugacityCoeffcient.mo
@@ -0,0 +1,82 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+   function LiquidFugacityCoeffcient
+   extends Modelica.Icons.Function;
+   
+   input Integer Nc;
+   input Real Tc[Nc];
+   input Real Pc[Nc];
+   input Real W_c[Nc];
+   input Real T,P;
+   input Real V_c[Nc];
+   input Real S;
+   input Real gma_c[Nc];
+   
+   output Real Philiq_c[Nc](each start = 2);
+   protected Real Tr_c[Nc];
+   protected Real Pr_c[Nc];
+   protected Real v0_c[Nc](each start=2),v1_c[Nc](each start=2),v_c[Nc];
+   protected Real A[10];
+   
+   algorithm
+    
+   
+     for i in 1:Nc loop
+     Tr_c[i] := T / Tc[i];
+     Pr_c[i] := P / Pc[i];
+    
+     if(Tc[i] == 33.19) then
+       A[1] := 1.50709;
+       A[2] := 2.74283;
+       A[3] := -0.0211;
+       A[4] := 0.00011;
+       A[5] := 0;
+       A[6] := 0.008585;
+       A[7] := 0;
+       A[8] := 0;
+       A[9] := 0;
+       A[10] :=0;
+     
+          v0_c[i] := 10^(A[1] + (A[2]/Tr_c[i]) + (A[3]*Tr_c[i])+(A[4] *Tr_c[i] *Tr_c[i])+(A[5] *Tr_c[i]*Tr_c[i]*Tr_c[i])+((A[6] +(A[7] *Tr_c[i]) +(A[8]*Tr_c[i]*Tr_c[i]))*Pr_c[i])+((A[9] +(A[10]*Tr_c[i]))*(Pr_c[i]*Pr_c[i])) - (log10(Pr_c[i])));
+         
+      elseif(Tc[i] == 190.56) then 
+       A[1] := 1.36822;
+       A[2] := -1.54831;
+       A[3] := 0;
+       A[4] := 0.02889;
+       A[5] := -0.01076;
+       A[6] := 0.10486;
+       A[7] := -0.02529;
+       A[8] := 0;
+       A[9] := 0;
+       A[10] := 0;
+    
+      v0_c[i] := 10^(A[1] + (A[2]/Tr_c[i]) + (A[3]*Tr_c[i])+(A[4] *Tr_c[i] *Tr_c[i])+(A[5] *Tr_c[i]*Tr_c[i]*Tr_c[i])+((A[6] +(A[7] *Tr_c[i]) +(A[8]*Tr_c[i]*Tr_c[i]))*Pr_c[i])+((A[9] +(A[10]*Tr_c[i]))*(Pr_c[i]*Pr_c[i])) - (log10(Pr_c[i])));   
+     
+     else 
+       A[1] := 2.05135;
+       A[2] := -2.10889;
+       A[3] := 0;
+       A[4] := -0.19396;
+       A[5] := 0.02282;
+       A[6] := 0.08852;
+       A[7] := 0;
+       A[8] := -0.00872;
+       A[9] := -0.00353;
+       A[10] := 0.00203;
+     
+     v0_c[i] := 10^(A[1] + (A[2]/Tr_c[i]) + (A[3]*Tr_c[i])+(A[4] *Tr_c[i] *Tr_c[i])+(A[5] *Tr_c[i]*Tr_c[i]*Tr_c[i])+((A[6] +(A[7] *Tr_c[i]) +(A[8]*Tr_c[i]*Tr_c[i]))*Pr_c[i])+((A[9] +(A[10]*Tr_c[i]))*(Pr_c[i]*Pr_c[i])) - (log10(Pr_c[i])));
+       
+    end if;
+    
+      v1_c[i] := 10^(-4.23893 + (8.65808 * Tr_c[i]) - (1.2206 / Tr_c[i]) - (3.15224 * Tr_c[i] ^ 3) - 0.025 * (Pr_c[i] - 0.6));
+    
+    if(v1_c[i] == 0) then 
+      v_c[i]  := 10^(log10(v0_c[i]) );
+    else 
+      v_c[i]  := 10^(log10(v0_c[i]) + (W_c[i] * log10(v1_c[i])));
+    end if; 
+     Philiq_c[i] := v_c[i] * gma_c[i];
+   end for; 
+   
+   end LiquidFugacityCoeffcient;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/PoyntingCF.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/PoyntingCF.mo
new file mode 100644
index 0000000..4616a54
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/PoyntingCF.mo
@@ -0,0 +1,24 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+function PoyntingCF
+  extends Modelica.Icons.Function;
+  import Simulator.Files.Thermodynamic_Functions.*;
+  input Integer Nc;
+  input Real Pc, Tc, RP, AF, MW;
+  input Real T, P;
+  input Real gma, Psat, rho;
+  parameter Integer Choice = 2;
+  output Real PCF;
+protected
+  Real vl;
+algorithm
+    if T < 0.98 * Tc then
+      vl := 1 / rho;
+    end if;
+    
+    if Choice == 1 then
+      PCF := exp(vl * abs(P - Psat) / (8314.47 * T));
+    else
+      PCF := 1;
+    end if;
+end PoyntingCF;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/Psat.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/Psat.mo
new file mode 100644
index 0000000..2b779ae
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/Psat.mo
@@ -0,0 +1,11 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function Psat
+    extends Modelica.Icons.Function;
+    /*Returns vapor pressure at given temperature*/
+    input Real VP[6] "from chemsep database";
+    input Real T(unit = "K") "Temperature";
+    output Real Pvap(unit = "Pa") "Vapor pressure";
+  algorithm
+    Pvap := exp(VP[2] + VP[3] / T + VP[4] * log(T) + VP[5] .* T .^ VP[6]);
+  end Psat;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/SId.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/SId.mo
new file mode 100644
index 0000000..bc94e61
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/SId.mo
@@ -0,0 +1,48 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function SId
+    extends Modelica.Icons.Function;
+    import Modelica.Constants.*;
+    
+    
+    input Real VapCp[6];
+    input Real HOV[6];
+    input Real Tb;
+    input Real Tc;
+    input Real T;
+    input Real P;
+    input Real xliq;
+    input Real xvap;
+    output Real Sliq, Svap;
+  protected
+    parameter Real Tref = 298.15, Pref = 101325;
+    Real S, Cp[n - 1];
+    parameter Integer n = 10;
+  
+  algorithm
+    S := 0;
+    for i in 1:n - 1 loop
+      Cp[i] := Simulator.Files.ThermodynamicFunctions.VapCpId(VapCp, 298.15 + i * (T - 298.15) / n) / (298.15 + i * (T - 298.15) / n);
+    end for;
+    if T >= Tref then
+      S := (T - 298.15) * (Simulator.Files.ThermodynamicFunctions.VapCpId(VapCp, T) / (2 * T) + sum(Cp[:]) + Simulator.Files.ThermodynamicFunctions.VapCpId(VapCp, 298.15) / (2 * 298.15)) / n;
+    else
+      S := -(T - 298.15) * (Simulator.Files.ThermodynamicFunctions.VapCpId(VapCp, T) / (2 * T) + sum(Cp[:]) + Simulator.Files.ThermodynamicFunctions.VapCpId(VapCp, 298.15) / (2 * 298.15)) / n;
+    end if;
+    if xliq > 0 and xvap > 0 then
+      Sliq := S - R * log(P / Pref) - R * log(xliq) - HV(HOV, Tc, T) / T;
+      Svap := S - R * log(P / Pref) - R * log(xvap);
+    elseif xliq <= 0 and xvap <= 0 then
+      Sliq := 0;
+      Svap := 0;
+    elseif xliq == 0 then
+      Sliq := 0;
+      Svap := S - R * log(P / Pref) - R * log(xvap);
+    elseif xvap == 0 then
+      Sliq := S - R * log(P / Pref) - R * log(xliq) - HV(HOV, Tc, T) / T;
+      Svap := 0;
+    else
+      Sliq := 0;
+      Svap := 0;
+    end if;
+  end SId;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/SolublityParameter.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/SolublityParameter.mo
new file mode 100644
index 0000000..15d2afd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/SolublityParameter.mo
@@ -0,0 +1,25 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+   function SolublityParameter
+   extends Modelica.Icons.Function;
+   
+   input Integer Nc;
+   input Real V_c[Nc];
+   input Real SP_c[Nc];
+   input Real x_c[Nc];
+   
+   output Real S;
+   protected Real Vs,V;
+   
+   algorithm
+     
+     V := sum(x_c[:] .* V_c[:]);
+     Vs :=   sum(x_c[:] .* V_c[:] .* SP_c[:]);
+     
+     if(V==0) then
+     S :=0;
+     else
+     S := Vs / V;
+     end if;
+   
+   end SolublityParameter;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/TowUNIQUAC.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/TowUNIQUAC.mo
new file mode 100644
index 0000000..60209d3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/TowUNIQUAC.mo
@@ -0,0 +1,19 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+ function TowUNIQUAC 
+  extends Modelica.Icons.Function;
+  input Integer Nc;
+  input  Real a_cc[Nc,Nc];
+  input Real T;
+  output Real tau_cc[Nc,Nc](start = 1);
+  
+  protected  Real R = 1.98721;
+  algorithm
+  
+    for i in 1:Nc  loop
+      for j in 1:Nc  loop
+        tau_cc[i,j] := exp(-a_cc[i,j]/(R * T));
+      end for;
+    end for;
+
+end TowUNIQUAC ;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/VapCpId.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/VapCpId.mo
new file mode 100644
index 0000000..5042d02
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/VapCpId.mo
@@ -0,0 +1,11 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+  function VapCpId
+    /*Calculates Vapor Specific Heat*/
+    extends Modelica.Icons.Function;
+    input Real VapCp[6] "from chemsep database";
+    input Real T(unit = "K") "Temperature";
+    output Real Cpvap(unit = "J/mol.K") "specific heat";
+  algorithm
+    Cpvap := (VapCp[2] + exp(VapCp[3] / T + VapCp[4] + VapCp[5] * T + VapCp[6] * T ^ 2)) / 1000;
+  end VapCpId;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/index.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/index.mo
new file mode 100644
index 0000000..a076f3a
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/index.mo
@@ -0,0 +1,10 @@
+within Simulator.Files.ThermodynamicFunctions;
+
+function index
+  extends Modelica.Icons.Function;
+  input String[:] comps;
+  input String comp;
+  output Integer i;
+algorithm
+  i := Modelica.Math.BooleanVectors.firstTrueIndex({k == comp for k in comps});
+end index;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/package.mo b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/package.mo
new file mode 100644
index 0000000..543d5bf
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/package.mo
@@ -0,0 +1,6 @@
+within Simulator.Files;
+
+package ThermodynamicFunctions
+  extends Modelica.Icons.FunctionsPackage;
+  
+end ThermodynamicFunctions;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/package.order b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/package.order
new file mode 100644
index 0000000..1ef0048
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicFunctions/package.order
@@ -0,0 +1,22 @@
+Psat
+LiqCpId
+VapCpId
+HV
+HLiqId
+HVapId
+SId
+Dens
+BIPNRTL
+TowUNIQUAC
+BIPUNIQUAC
+BIPPR
+FindString
+index
+DensityRacket
+PoyntingCF
+SolublityParameter
+EOSConstantII
+EOSConstantIII
+EOSConstant1V
+EOSConstants
+LiquidFugacityCoeffcient
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicPackages/GraysonStreed.mo b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/GraysonStreed.mo
new file mode 100644
index 0000000..5fbc14b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/GraysonStreed.mo
@@ -0,0 +1,208 @@
+within Simulator.Files.ThermodynamicPackages;
+
+ model GraysonStreed
+  
+  //====================================================================
+  //Header Files and Parameters
+    import Simulator.Files.Thermodynamic_Functions.*;
+    parameter Real R = 8.314;
+    parameter Real u = 1;
+    import Simulator.Files.*;
+    parameter Real W_c[Nc];
+    parameter Real SP_c[Nc](each unit = "(cal/mL)^0.5");
+    parameter Real V_c[Nc](each unit = "mL/mol");
+    parameter Real T_c[Nc] = C.Tc;
+    parameter Real Pc_c[Nc] = C.Pc;
+    parameter Real Rgas = 8314470;
+    
+  //====================================================================
+  //Model Variables
+    Real Cpres_p[3], Hres_p[3], Sres_p[3];
+    Real K_c[Nc];
+    Real S(start = 3), gma_c[Nc];
+    Real philiq_c[Nc](each start = 2), phivap_c[Nc](each start = 0.99), phivapdew_c[Nc](each start = 1.2);
+    Real S_bubl, philiqbubl_c[Nc](each start = 1.5), gmabubl[Nc];
+    //Vapour Phase Fugacity coefficient
+    Real a_c[Nc], b_c[Nc];
+    Real aij_c[Nc, Nc];
+    Real amv, amvdew, bmv, bmvdew;
+    Real Avap, Avapdew, Bvap(start = 3), Bvapdew;
+    Real Zvap(start = 3), Zvapdew;
+    Real t1_c[Nc], t3_c[Nc], t4, t2(start = 10);
+    Real t1dew_c[Nc], t3dew_c[Nc], t4dew, t2dew(start = 10);
+    Real Cvap[4], ZRvap[3, 2], ZVap[3];
+    Real Cvapdew[4], ZRvapdew[3, 2], ZVapdew[3];
+    Real gmabubl_c[Nc](each start = 0.5), gmadew_c[Nc](each start = 2.06221);
+    Real gmaliq_c[Nc], Pvap_c[Nc];
+    Real A_c[Nc], B_c[Nc], C_c[Nc], D_c[Nc], E, G, H_c[Nc], I, J;
+    Real xliqdew_c[Nc];
+    Real Tr_c[Nc];
+    Real Prbubl_c[Nc](each start = 2);
+    Real Vo_c[Nc](each start = 2), V1_c[Nc](each start = 2), v_c[Nc];
+    Real Vs, V;
+  equation
+//======================================================================================================
+//Calculation Routine for Liquid Phase Fugacity Coefficient
+    S = Simulator.Files.ThermodynamicFunctions.SolublityParameter(Nc, V_c, SP_c, x_pc[2, :]);
+    for i in 1:Nc loop
+      gma_c[i] = exp(V_c[i] * (SP_c[i] - S) ^ 2 / (Rgas * T));
+    end for;
+    philiq_c = Simulator.Files.ThermodynamicFunctions.LiquidFugacityCoeffcient(Nc, T_c, Pc_c, W_c, T, P, V_c, S, gma_c);
+    for i in 1:Nc loop
+      Pvap_c[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, T);
+      gmaliq_c[i] = philiq_c[i] * (P / Pvap_c[i]);
+    end for;
+//========================================================================================================
+//Calculation Routine for Vapour Phase Fugacity Coefficient
+//Calculation of Equation of State Constants
+    a_c = Simulator.Files.ThermodynamicFunctions.EOSConstants(Nc, T_c, Pc_c, T);
+    b_c = Simulator.Files.ThermodynamicFunctions.EOSConstantII(Nc, T_c, Pc_c, T);
+    aij_c = Simulator.Files.ThermodynamicFunctions.EOSConstantIII(Nc, a_c);
+    amv = Simulator.Files.ThermodynamicFunctions.EOSConstant1V(Nc, x_pc[3, :], aij_c);
+    bmv = sum(x_pc[3, :] .* b_c[:]);
+    Avap = amv * P / (R * T) ^ 2;
+    Bvap = bmv * P / (R * T);
+    for i in 1:Nc loop
+      if bmv == 0 then
+        C_c[i] = 0;
+      else
+        C_c[i] = b_c[i] / bmv;
+      end if;
+    end for;
+    for i in 1:Nc loop
+      if amv == 0 then
+        D_c[i] = 0;
+      else
+        D_c[i] = a_c[i] / amv;
+      end if;
+    end for;
+    for i in 1:Nc loop
+      t1_c[i] = b_c[i] * (Zvap - 1) / bmv;
+      t3_c[i] = Avap / (Bvap * u ^ (2 ^ 0.5)) * (C_c[i] - 2 * D_c[i] ^ 0.5);
+    end for;
+    t4 = log(2 * Zvap + Bvap * (u + u ^ (2 ^ 0.5))) / (2 * Zvap + Bvap * (u - u ^ (2 ^ 0.5)));
+    t2 = -log(Zvap - Bvap);
+    Cpres_p[:] = zeros(3);
+    Hres_p[:] = zeros(3);
+    Sres_p[:] = zeros(3);
+    for i in 1:Nc loop
+      phivap_c[i] = exp(t1_c[i] + t2 + t3_c[i] * t4);
+      K_c[i] = philiq_c[i] / phivap_c[i];
+    end for;
+//====================================================================================================
+//Bubble Point Algorithm
+    V = sum(x_pc[1, :] .* V_c[:]);
+    Vs = sum(x_pc[1, :] .* V_c[:] .* SP_c[:]);
+    S_bubl = Vs / V;
+    for i in 1:Nc loop
+      gmabubl[i] = exp(V_c[i] * (SP_c[i] - S_bubl) ^ 2 / (Rgas * T));
+    end for;
+    for i in 1:Nc loop
+      Tr_c[i] = T / T_c[i];
+      if Pc_c[i] <= 0 then
+        Prbubl_c[i] = 0;
+      else
+        Prbubl_c[i] = Pbubl / Pc_c[i];
+      end if;
+      if T_c[i] == 33.19 then
+        Vo_c[i] = 10 ^ (1.50709 + 2.74283 / Tr_c[i] + (-0.0211) * Tr_c[i] + 0.00011 * Tr_c[i] * Tr_c[i] + 0.008585 - log10(Prbubl_c[i]));
+      elseif T_c[i] == 190.56 then
+        Vo_c[i] = 10 ^ (1.36822 + (-1.54831) / Tr_c[i] + 0.02889 * Tr_c[i] * Tr_c[i] + (-0.01076) * Tr_c[i] * Tr_c[i] * Tr_c[i] + 0.10486 + (-0.02529) * Tr_c[i] - log10(Prbubl_c[i]));
+      else
+        Vo_c[i] = 10 ^ (2.05135 + (-2.10889) / Tr_c[i] + (-0.19396) * Tr_c[i] * Tr_c[i] + 0.02282 * Tr_c[i] * Tr_c[i] * Tr_c[i] + (0.08852 + (-0.00872) * Tr_c[i] * Tr_c[i]) * Prbubl_c[i] + ((-0.00353) + 0.00203 * Tr_c[i]) * (Prbubl_c[i] * Prbubl_c[i]) - log10(Prbubl_c[i]));
+      end if;
+      V1_c[i] = 10 ^ ((-4.23893) + 8.65808 * Tr_c[i] - 1.2206 / Tr_c[i] - 3.15224 * Tr_c[i] ^ 3 - 0.025 * (Prbubl_c[i] - 0.6));
+      if V1_c[i] == 0 then
+        v_c[i] = 10 ^ log10(Vo_c[i]);
+      else
+        v_c[i] = 10 ^ (log10(Vo_c[i]) + W_c[i] * log10(V1_c[i]));
+      end if;
+      philiqbubl_c[i] = v_c[i] * gmabubl[i];
+    end for;
+    for i in 1:Nc loop
+      gmabubl_c[i] = philiqbubl_c[i] * (Pbubl / Pvap_c[i]);
+    end for;
+//===================================================================================
+//Dew Point Algorithm
+    for i in 1:Nc loop
+      if gmadew_c[i] * Pvap_c[i] == 0 then
+        xliqdew_c[i] = 0;
+      else
+        xliqdew_c[i] = x_pc[1, i] * Pdew / (gmadew_c[i] * Pvap_c[i]);
+      end if;
+    end for;
+    amvdew = Simulator.Files.ThermodynamicFunctions.EOSConstant1V(Nc, xliqdew_c[:], aij_c);
+    bmvdew = sum(xliqdew_c[:] .* b_c[:]);
+    Avapdew = amvdew * Pdew / (R * T) ^ 2;
+    Bvapdew = bmvdew * Pdew / (R * T);
+    for i in 1:Nc loop
+      if bmvdew == 0 then
+        A_c[i] = 0;
+      else
+        A_c[i] = b_c[i] / bmvdew;
+      end if;
+    end for;
+    for i in 1:Nc loop
+      if amvdew == 0 then
+        B_c[i] = 0;
+      else
+        B_c[i] = a_c[i] / amvdew;
+      end if;
+    end for;
+    if Bvapdew * u ^ (2 ^ 0.5) == 0 then
+      E = 0;
+    else
+      E = Bvapdew * u ^ (2 ^ 0.5);
+    end if;
+    if E == 0 then
+      G = 0;
+    else
+      G = Avapdew / E;
+    end if;
+    if bmvdew == 0 then
+      I = 0;
+    else
+      I = (Zvapdew - 1) / bmvdew;
+    end if;
+    if Zvapdew - Bvapdew <= 0 then
+      J = 0;
+    else
+      J = -log(Zvapdew - Bvapdew);
+    end if;
+    for i in 1:Nc loop
+      t1dew_c[i] = b_c[i] * I;
+      t3dew_c[i] = G * (A_c[i] - 2 * B_c[i] ^ 0.5);
+    end for;
+    if (2 * Zvapdew + Bvapdew * (u + u ^ (2 ^ 0.5))) / (2 * Zvapdew + Bvapdew * (u - u ^ (2 ^ 0.5))) <= 0 then
+      t4dew = 0;
+    else
+      t4dew = log((2 * Zvapdew + Bvapdew * (u + u ^ (2 ^ 0.5))) / (2 * Zvapdew + Bvapdew * (u - u ^ (2 ^ 0.5))));
+    end if;
+    t2dew = J;
+    for i in 1:Nc loop
+      phivapdew_c[i] = exp(t1dew_c[i] + t2dew + t3dew_c[i] * t4dew);
+      if Pvap_c[i] == 0 then
+        H_c[i] = 0;
+      else
+        H_c[i] = Pdew / Pvap_c[i];
+      end if;
+      gmadew_c[i] = phivapdew_c[i] * H_c[i];
+    end for;
+  algorithm
+    Cvapdew[1] := 1;
+    Cvapdew[2] := -(1 + Bvapdew - u * Bvapdew);
+    Cvapdew[3] := Avapdew - u * Bvapdew - u * Bvapdew ^ 2;
+    Cvapdew[4] := -Avapdew * Bvapdew;
+    ZRvapdew := Modelica.Math.Vectors.Utilities.roots(Cvapdew);
+    ZVapdew := {ZRvapdew[i, 1] for i in 1:3};
+    Zvapdew := max({ZVapdew});
+  algorithm
+    Cvap[1] := 1;
+    Cvap[2] := -(1 + Bvap - u * Bvap);
+    Cvap[3] := Avap - u * Bvap - u * Bvap ^ 2;
+    Cvap[4] := -Avap * Bvap;
+    ZRvap := Modelica.Math.Vectors.Utilities.roots(Cvap);
+    ZVap := {ZRvap[i, 1] for i in 1:3};
+    Zvap := max({ZVap});
+//==========================================================================================================
+  end GraysonStreed;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicPackages/NRTL.mo b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/NRTL.mo
new file mode 100644
index 0000000..cf4eba1
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/NRTL.mo
@@ -0,0 +1,32 @@
+within Simulator.Files.ThermodynamicPackages;
+
+  model NRTL
+    import Simulator.Files.Thermodynamic_Functions.*;
+    Simulator.Files.Models.gammaNRTL Gma(Nc = Nc, C = C, x_c = x_pc[2, :], T = T), GmaDew(Nc = Nc, C = C, x_c = xliqdew_c, T = T), GmaBubl(Nc = Nc, C = C, x_c = x_pc[1, :], T = T);
+    Real xliqdew_c[Nc], rho_c[Nc];
+    Real Cpres_p[3] "residual specific heat", Hres_p[3] "residual enthalpy", Sres_p[3] "residual Entropy", K_c[Nc], gma_c[Nc](each start = 1), gmabubl_c[Nc](each start = 1), gmadew_c[Nc](each start = 1);
+    Real philiqbubl_c[Nc], phivapdew_c[Nc], Pvap_c[Nc];
+  equation
+    gma_c= Gma.gma_c;
+    for i in 1:Nc loop
+      xliqdew_c[i] = x_pc[1, i] * Pdew / (gmadew_c[i] * Pvap_c[i]);
+      rho_c[i] = Simulator.Files.ThermodynamicFunctions.Dens(C[i].LiqDen, C[i].Tc, T, P);
+    end for;
+    for i in 1:Nc loop
+      philiqbubl_c[i] = 1;
+      phivapdew_c[i] = 1;
+    end for;
+    for i in 1:Nc loop
+      gmabubl_c[i] = GmaBubl.gma_c[i];
+      gmadew_c[i] = GmaDew.gma_c[i];
+    end for;
+    for i in 1:Nc loop
+      Pvap_c[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, T);
+    end for;
+    for i in 1:Nc loop
+      K_c[i] = gma_c[i] * Pvap_c[i] / P;
+    end for;
+    Cpres_p[:] = zeros(3);
+    Hres_p[:] = zeros(3);
+    Sres_p = zeros(3);
+  end NRTL;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicPackages/PengRobinson.mo b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/PengRobinson.mo
new file mode 100644
index 0000000..e0f3ce9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/PengRobinson.mo
@@ -0,0 +1,160 @@
+within Simulator.Files.ThermodynamicPackages;
+
+ model PengRobinson
+  
+  //=====================================================================
+  //Header files and Parameters
+    import Simulator.Files.*;
+    parameter Real R = 8.314 "Ideal Gas Constant";
+    parameter Real kij_c[Nc, Nc](each start = 1) = Simulator.Files.ThermodynamicFunctions.BIPPR(Nc, C.name);
+  
+  //======================================================================
+  //Model Variables
+    Real Tr_c[Nc](each start = Tg) "Reduced temperature";
+    Real b_c[Nc];
+    Real a_c[Nc](start = xg);
+    Real m_c[Nc];
+    Real q_c[Nc];
+    Real aij_c[Nc, Nc];
+    Real K_c[Nc](start = K_guess);
+    Real Pvap_c[Nc](start=Pg) "Saturated Vapor Pressure";
+    Real philiq_c[Nc](each start = 5) "Liquid Phase Fugasity coefficient";
+    Real phivap_c[Nc](each start = 5) "Vapor Phase Fugasity coefficient";
+    Real gmabubl_c[Nc], gmadew_c[Nc];
+    Real philiqbubl_c[Nc], phivapdew_c[Nc];
+    Real Cpres_p[3], Hres_p[3], Sres_p[3];
+    Real aMliq, bMliq;
+    Real Aliq(start=xliqg), Bliq(start=xvapg);
+    Real Cliq[4];
+    Real Z_RL[3, 2](start=xliqg);
+    Real Zliq[3](start=xliqg), Zll(start=xvapg);
+    Real sumxliq[Nc];
+    Real aMvap, bMvap;
+    Real Avap(start=xliqg), Bvap(start=xvapg);
+    Real Cvap[4];
+    Real Z_RV[3, 2](start= xvapg);
+    Real Zvap[3](start=xvapg), Zvv;
+    Real sumxvap[Nc];
+    Real A, B, Cdummy, D_c[Nc], E, F, G, H_c[Nc], I_c[Nc], J_c[Nc];
+    Real gma[Nc];
+    
+    extends GuessModels.InitialGuess;
+  //======================================================================
+  equation
+    for i in 1:Nc loop
+      Pvap_c[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, T);
+      gmadew_c[i] = 1;
+      gmabubl_c[i] = 1;
+      philiqbubl_c[i] = 1;
+      phivapdew_c[i] = 1;
+      gma[i] = 1;
+    end for;
+    Cpres_p[:] = zeros(3);
+    Hres_p[:] = zeros(3);
+    Sres_p[:] = zeros(3);
+    Tr_c = T ./ C.Tc;
+    b_c = 0.0778 * R * C.Tc ./ C.Pc;
+    m_c = 0.37464 .+ 1.54226 * C.AF .- 0.26992 * C.AF .^ 2;
+    q_c = 0.45724 * R ^ 2 * C.Tc .^ 2 ./ C.Pc;
+    a_c = q_c .* (1 .+ m_c .* (1 .- sqrt(Tr_c))) .^ 2;
+    aij_c = {{(1 - kij_c[i, j]) * sqrt(a_c[i] * a_c[j]) for i in 1:Nc} for j in 1:Nc};
+    
+  //======================================================================
+//Liquid_Fugacity Coefficient Calculation Routine
+    aMliq = sum({{x_pc[2, i] * x_pc[2, j] * aij_c[i, j] for i in 1:Nc} for j in 1:Nc});
+    bMliq = sum(b_c .* x_pc[2, :]);
+    Aliq = aMliq * P / (R * T) ^ 2;
+    Bliq = bMliq * P / (R * T);
+    Cliq[1] = 1;
+    Cliq[2] = Bliq - 1;
+    Cliq[3] = Aliq - 3 * Bliq ^ 2 - 2 * Bliq;
+    Cliq[4] = Bliq ^ 3 + Bliq ^ 2 - Aliq * Bliq;
+    Z_RL = Modelica.Math.Vectors.Utilities.roots(Cliq);
+    Zliq = {Z_RL[i, 1] for i in 1:3};
+    Zll = min({Zliq});
+    sumxliq = {sum({x_pc[2, j] * aij_c[i, j] for j in 1:Nc}) for i in 1:Nc};
+    if Zll + 2.4142135 * Bliq <= 0 then
+      A = 1;
+    else
+      A = Zll + 2.4142135 * Bliq;
+    end if;
+    if Zll - 0.414213 * Bliq <= 0 then
+      B = 1;
+    else
+      B = Zll - 0.414213 * Bliq;
+    end if;
+    if Zll - Bliq <= 0 then
+      Cdummy = 0;
+    else
+      Cdummy = log(Zll - Bliq);
+    end if;
+    for i in 1:Nc loop
+      if bMliq == 0 then
+        D_c[i] = 0;
+      else
+        D_c[i] = b_c[i] / bMliq;
+      end if;
+    end for;
+    for i in 1:Nc loop
+      if aMliq == 0 then
+        J_c[i] = 0;
+      else
+        J_c[i] = sumxliq[i] / aMliq;
+      end if;
+    end for;
+    philiq_c = exp(Aliq / (Bliq * sqrt(8)) * log(A / B) .* (D_c .- 2 * J_c) .+ (Zll - 1) * D_c .- Cdummy);
+  
+  //======================================================================
+//Vapour Fugacity Calculation Routine
+    aMvap = sum({{x_pc[3, i] * x_pc[3, j] * aij_c[i, j] for i in 1:Nc} for j in 1:Nc});
+    bMvap = sum(b_c .* x_pc[3, :]);
+    Avap = aMvap * P / (R * T) ^ 2;
+    Bvap = bMvap * P / (R * T);
+    Cvap[1] = 1;
+    Cvap[2] = Bvap - 1;
+    Cvap[3] = Avap - 3 * Bvap ^ 2 - 2 * Bvap;
+    Cvap[4] = Bvap ^ 3 + Bvap ^ 2 - Avap * Bvap;
+    Z_RV = Modelica.Math.Vectors.Utilities.roots(Cvap);
+    Zvap = {Z_RV[i, 1] for i in 1:3};
+    Zvv = max({Zvap});
+    sumxvap = {sum({x_pc[3, j] * aij_c[i, j] for j in 1:Nc}) for i in 1:Nc};
+    if Zvv + 2.4142135 * Avap <= 0 then
+      E = 1;
+    else
+      E = Zvv + 2.4142135 * Bvap;
+    end if;
+    if Zvv - 0.414213 * Bvap <= 0 then
+      F = 1;
+    else
+      F = Zvv - 0.414213 * Bvap;
+    end if;
+    if Zvv - Bvap <= 0 then
+      G = 0;
+    else
+      G = log(Zvv - Bvap);
+    end if;
+    for i in 1:Nc loop
+      if bMvap == 0 then
+        H_c[i] = 0;
+      else
+        H_c[i] = b_c[i] / bMvap;
+      end if;
+    end for;
+    for i in 1:Nc loop
+      if aMvap == 0 then
+        I_c[i] = 0;
+      else
+        I_c[i] = sumxvap[i] / aMvap;
+      end if;
+    end for;
+    phivap_c = exp(Avap / (Bvap * sqrt(8)) * log(E / F) .* (H_c .- 2 * I_c) .+ (Zvv - 1) * H_c .- G);
+    for i in 1:Nc loop
+      if philiq_c[i] == 0 or phivap_c[i] == 0 then
+        K_c[i] = 0;
+      else
+        K_c[i] = philiq_c[i] / phivap_c[i];
+      end if;
+    end for;
+  end PengRobinson;
+
+  //=============================================================================================================
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicPackages/RaoultsLaw.mo b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/RaoultsLaw.mo
new file mode 100644
index 0000000..c318000
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/RaoultsLaw.mo
@@ -0,0 +1,25 @@
+within Simulator.Files.ThermodynamicPackages;
+
+  model RaoultsLaw
+    import Simulator.Files.ThermodynamicFunctions.*;
+    Real K_c[Nc](each min = 0), Cpres_p[3], Hres_p[3], Sres_p[3];
+    Real gma_c[Nc], gmabubl_c[Nc], gmadew_c[Nc];
+    Real philiqbubl_c[Nc], phivapdew_c[Nc], Pvap_c[Nc];
+  equation
+    for i in 1:Nc loop
+      gma_c[i] = 1;
+      gmabubl_c[i] = 1;
+      gmadew_c[i] = 1;
+      philiqbubl_c[i] = 1;
+      phivapdew_c[i] = 1;
+    end for;
+    for i in 1:Nc loop
+      Pvap_c[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, T);
+    end for;
+    for j in 1:Nc loop
+      K_c[j] = Pvap_c[j] / P;
+    end for;
+    Cpres_p[:] = zeros(3);
+    Hres_p[:] = zeros(3);
+    Sres_p[:] = zeros(3);
+  end RaoultsLaw;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicPackages/UNIFAC.mo b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/UNIFAC.mo
new file mode 100644
index 0000000..e64210f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/UNIFAC.mo
@@ -0,0 +1,189 @@
+within Simulator.Files.ThermodynamicPackages;
+
+ model UNIFAC
+    //Libraries
+    import Simulator.Files.*;
+    import Simulator.Files.ThermodynamicFunctions;
+    //Parameter Section
+    parameter Integer m = 4 "substitue of number of different group";
+    parameter Integer k = 4 "number of different group in component i";
+    //Van de wal surface area and volume constant's
+    parameter Real V_ck[Nc, k] = {{1, 1, 1, 0}, {1, 0, 1, 0}} "number of group of kind k in molecule ";
+    parameter Real R_ck[Nc, k] = {{0.9011, 0.6744, 1.6724, 0}, {0.9011, 0, 1.6724, 0}} "group volume of group k ";
+    parameter Real Q_ck[Nc, k] = {{0.848, 0.540, 1.448, 0}, {0.848, 0, 1.448, 0}} "group surface area of group k";
+    //Intreraction parameter
+    parameter Real a[m, k] = {{0, 0, 476.4, 1318}, {0, 0, 476.4, 1318}, {26.76, 26.76, 0, 472.5}, {300, 300, -195.4, 0}} "Binary  intraction parameter";
+    Real Psat[Nc] "Saturated Vapour Pressure at the input temperature";
+    //Intermediate values used to compute UNIFAC R and Q values
+    Real q[Nc] "Van der walls molecular surface area";
+    Real r[Nc] "Van der walls molecular volume";
+    Real e_kc[k, Nc] "Group Surface area fraction of comp i";
+    Real tow[m, k] "Boltzmann factors";
+    Real B_ck[Nc, k] "UNIFAC parameter ";
+    Real theta_k[k] "UNIFAC parameter";
+    Real sum_c[Nc];
+    Real S_k[k] "Unifac parameter ";
+    Real J_c[Nc] "Surface area fraction of comp i";
+    Real L_c[Nc] "Molecular volume fraction of comp i";
+    //Activity Coefficients
+    Real gmacom_c[Nc] "Combinatorial activity coefficient of comp i";
+    Real gmares_c[Nc] "Residual activity coefficient of comp i";
+    Real gma_c[Nc] " Activity coefficient";
+    Real K_c[Nc] "Equlibrium constant of compound i";
+    //Fugacity coefficient  at the Bubble and Dew Points
+    Real philbubl_c[Nc], phivdew_c[Nc];
+    //Activity Coefficient at the Bubble and Dew Points
+    Real gmabubl_c[Nc], gmadew_c[Nc](each start = 1.5);
+    //Excess Energy Properties
+    Real Cpres_c[3], Hres_c[3], Sres_c[3];
+    //===============================================================================
+    //Bubble Point Calculation Variables
+    Real theta_bubl[k] "UNIFAC parameter";
+    Real Sbubl_c[k] "Unifac parameter ";
+    Real Jbubl_c[Nc] "Surface area fraction of comp i";
+    Real Lbubl_c[Nc] "Molecular volume fraction of comp i";
+    Real gmacbubl_C[Nc] "Combinatorial activity coefficient of components at bubble point";
+    Real gmarbubl_C[Nc] "Residual activity coefficient of components at bubble point";
+    Real sumbubl_c[Nc];
+    //===============================================================================
+    //Dew Point Calculation Routine
+    Real theta_dew[k] "UNIFAC parameter";
+    Real Sdew_c[k] "Unifac parameter ";
+    Real Jdew_c[Nc] "Surface area fraction of comp i";
+    Real Ldew_c[Nc] "Molecular volume fraction of comp i";
+    Real gmacdew_c[Nc] "combinatorial activity coefficient of components at dew point";
+    Real gmardew_c[Nc] "residual activity coefficient of components at dew point";
+    Real sumdew_c[Nc];
+    Real xliqdew_c[Nc](each start = 0.5);
+    //==============================================================================
+  equation
+    Cpres_c[:] = zeros(3);
+    Hres_c[:] = zeros(3);
+    Sres_c[:] = zeros(3);
+    for i in 1:Nc loop
+      Psat[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP[:], T);
+    end for;
+    for i in 1:Nc loop
+      philbubl_c[i] = 1;
+      phivdew_c[i] = 1;
+    end for;
+    for i in 1:m loop
+//tow_m_k=exp((-a_m_k)/t)
+      tow[i, :] = exp((-a[i, :]) / T);
+    end for;
+// Equlibrium constant
+    for i in 1:Nc loop
+      K_c[i] = gma_c[i] * Psat[i] / P;
+    end for;
+//surface area constant
+    for i in 1:Nc loop
+      q[i] = sum(V_ck[i, :] .* Q_ck[i, :]);
+//surface volume constant
+      r[i] = sum(V_ck[i, :] .* R_ck[i, :]);
+      e_kc[:, i] = V_ck[i, :] .* Q_ck[i, :] / q[i];
+    end for;
+    for i in 1:Nc loop
+      J_c[i] = r[i] / sum(r[:] .* x_pc[2, :]);
+      L_c[i] = q[i] / sum(q[:] .* x_pc[2, :]);
+      gmacom_c[i] = exp(1 - J_c[i] + log(J_c[i]) + (-5 * q[i] * (1 - J_c[i] / L_c[i] + log(J_c[i] / L_c[i]))));
+    end for;
+//=======================================================================================
+    for j in 1:k loop
+      theta_k[j] = sum(x_pc[2, :] .* q[:] .* e_kc[j, :]) / sum(x_pc[2, :] .* q[:]);
+    end for;
+    for i in 1:k loop
+      S_k[i] = sum(theta_k[:] .* tow[:, i]);
+    end for;
+  algorithm
+    for i in 1:Nc loop
+      for j in 1:k loop
+        for l in 1:m loop
+          B_ck[i, j] := sum(e_kc[:, i] .* tow[:, j]);
+        end for;
+      end for;
+    end for;
+    sum_c[:] := fill(0, Nc);
+    for j in 1:k loop
+      for i in 1:Nc loop
+        sum_c[i] := sum_c[i] + theta_k[j] * B_ck[i, j] / S_k[j] - e_kc[j, i] * log(B[i, j] / S_k[j]);
+        gmares_c[i] := exp(q[i] * (1 - sum_c[i]));
+      end for;
+    end for;
+  equation
+// activity coefficient:
+    for i in 1:Nc loop
+      gma_c[i] = exp(log(gmares_c[i]) + log(gmacom_c[i]));
+    end for;
+//===============================================================================================
+//Bubble Point Calculation Routine
+    for i in 1:Nc loop
+      Jbubl_c[i] = r[i] / sum(r[:] .* x_pc[1, :]);
+      Lbubl_c[i] = q[i] / sum(q[:] .* x_pc[1, :]);
+      gmacbubl_C[i] = exp(1 - Jbubl_c[i] + log(Jbubl_c[i]) + (-5 * q[i] * (1 - Jbubl_c[i] / Lbubl_c[i] + log(Jbubl_c[i] / Lbubl_c[i]))));
+    end for;
+    for j in 1:k loop
+      theta_bubl[j] = sum(x_pc[1, :] .* q[:] .* e_kc[j, :]) / sum(x_pc[1, :] .* q[:]);
+    end for;
+    for i in 1:k loop
+      Sbubl_c[i] = sum(theta_bubl[:] .* tow[:, i]);
+    end for;
+  algorithm
+    sumbubl_c[:] := fill(0, Nc);
+    for j in 1:k loop
+      for i in 1:Nc loop
+        sumbubl_c[i] := sumbubl_c[i] + theta_bubl[j] * B[i, j] / Sbubl_c[j] - e_kc[j, i] * log(B[i, j] / Sbubl_c[j]);
+        gmarbubl_C[i] := exp(q[i] * (1 - sumbubl_c[i]));
+      end for;
+    end for;
+  equation
+    for i in 1:Nc loop
+      gmabubl_c[i] = exp(log(gmarbubl_C[i]) + log(gmacbubl_C[i]));
+    end for;
+//=======================================================================================================
+//Dew Point Calculation Routine
+    for i in 1:Nc loop
+      xliqdew_c[i] = x_pc[1, i] * Pdew / (gmadew_c[i] * Psat[i]);
+    end for;
+    for i in 1:Nc loop
+      Jdew_c[i] = r[i] / sum(r[:] .* xliqdew_c[:]);
+      Ldew_c[i] = q[i] / sum(q[:] .* xliqdew_c[:]);
+      gmacdew_c[i] = exp(1 - Jdew_c[i] + log(Jdew_c[i]) + (-5 * q[i] * (1 - Jdew_c[i] / Ldew_c[i] + log(Jdew_c[i] / Ldew_c[i]))));
+    end for;
+    for j in 1:k loop
+      theta_dew[j] = sum(xliqdew_c[:] .* q[:] .* e_kc[j, :]) / sum(xliqdew_c[:] .* q[:]);
+    end for;
+    for i in 1:k loop
+      Sdew_c[i] = sum(theta_dew[:] .* tow[:, i]);
+    end for;
+  algorithm
+    sumdew_c[:] := fill(0, Nc);
+    for j in 1:k loop
+      for i in 1:Nc loop
+        sumdew_c[i] := sumdew_c[i] + theta_dew[j] * B[i, j] / Sdew_c[j] - e_kc[j, i] * log(B[i, j] / Sdew_c[j]);
+        gmardew_c[i] := exp(q[i] * (1 - sumdew_c[i]));
+      end for;
+    end for;
+  equation
+    for i in 1:Nc loop
+      gmadew_c[i] = exp(log(gmardew_c[i]) + log(gmacdew_c[i]));
+    end for;
+//=================================================================================================s
+    annotation(
+      Documentation(info = "<html>
+   <p>
+  UNIFAC-Universal Functional group Model
+  </p>
+  <b>Description</b>:<br>
+  </p>
+  UNIFAC(Univeral functional group) model is a semi empherical system to determine the activity coefficient in non ideal mixtures. It makes use of the functional group present in the chemical molecule to predict the phase equlibria of the system. 
+  The activity coefficent comprises of two major contibutions named as combinatorial and residual contribution
+  Combinatorial contribution focusses on the deviation from ideality as a result of molecular shape while the residual contribution quantifies the interaction between different groups in the system.<br>
+  </p>
+  <b>Equations and References</b>:<br>
+  </p>https://wikimedia.org/api/rest_v1/media/math/render/svg/b6eb40a653fe590b5bfa137fe76342eef6a502d2
+  </p>
+  </tr>
+  </html>"),
+      experiment(StopTime = 1.0, Interval = 0.001));
+  end UNIFAC;
+
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicPackages/UNIQUAC.mo b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/UNIQUAC.mo
new file mode 100644
index 0000000..932c692
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/UNIQUAC.mo
@@ -0,0 +1,349 @@
+within Simulator.Files.ThermodynamicPackages;
+
+  model UNIQUAC
+    //Libraries
+    import Simulator.Files.*;
+    //Parameter Section
+    //Binary Interaction Parameters
+    //Function :BIP_UNIQUAC is used to obtain the interaction parameters
+    parameter Real a[Nc, Nc] = ThermodynamicFunctions.BIPUNIQUAC(Nc, C.name);
+    //Uniquac Parameters R and Q called from Chemsep Database
+    parameter Real R[Nc] = C.UniquacR;
+    parameter Real Q[Nc] = C.UniquacQ;
+    parameter Integer Z = 10 "Compresseblity-Factor";
+    //Variable Section
+    Real tow[Nc, Nc] "Energy interaction parameter";
+    //Intermediate variables to calculate the combinatorial and residual part of activity coefficient at the input conditions
+    Real r(each start = 2, min = 0, max = 1), q(each start = 2);
+    Real theta_c[Nc];
+    Real S_c[Nc](each start = 1);
+    Real Sum_c[Nc];
+    //Activity Coefficients
+    Real gmacom_c[Nc](each start = 1.2) "Combinatorial Part of activity coefficent at input conditions";
+    Real gmares_c[Nc](each start = 1.2) "Residual part of activity coefficient at input conditions";
+    Real gmanew_c[Nc](each start = 1.2);
+    Real gma_c[Nc](each start = 1.2) "Activity coefficient with Poynting correction";
+    //Fugacity coefficient
+    Real phil[Nc](each start = 0.5) "Fugacity coefficient at the input conditions";
+    //Dew Point Calculation Variables
+    Real xliqdew_c[Nc](each start = 0.5, each min = 0, each max = 1);
+    //Intermediate variables to calculate the combinatorial and residual part of activity coefficient at dew point
+    Real rdew(start = 2), qdew(start = 2);
+    Real thetadew_c[Nc](each start = 2);
+    Real Sdew_c[Nc](each start = 1);
+    Real sum_dew[Nc](each start = 2);
+    //Activity Coefficients
+    Real  gmacdew_c[Nc](each start = 5) "Combinatorial Part of activity coefficent at dew point";
+    Real  gmardew_c[Nc](each start = 2.5) "Residual part of activity coefficient at dew point";
+    Real  gmaolddew_c[Nc](each start = 2.2) "Combinatorial Part of activity coefficent(without correction)";
+    Real gmadew_c[Nc](each start = 2.2) "Activity coefficent at dew point";
+    //Fugacity coefficient
+    Real  phivapdew_c[Nc] "Vapour Fugacity coefficient at dew point";
+    Real phildew_c[Nc](each start = 0.5);
+    Real PCFdew_c[Nc] "Poynting Correction Factor";
+    //Bubble Point Calculation Variables
+    //Intermediate variables to calculate the combinatorial and residual part of activity coefficient at bubble point
+    Real rbubl(start = 2), qbubl(start = 2);
+    Real thetabubl_c[Nc];
+    Real Sbubl_c[Nc];
+    Real Sumbubl_c[Nc];
+    //Activity Coefficients
+    Real gmacbubl_c[Nc](each start = 2) "Combinatorial Part of activity coefficent at bubble point";
+    Real  gmarbubl_c[Nc](each start = 1) "Residual part of activity coefficent at bubble point";
+    Real  gmaoldbubl_c[Nc](each start = 1) "Combinatorial Part of activity coefficent(without correction)";
+    Real  gmabubl_c[Nc](each start = 1) "Activity coefficent at bubble point";
+    //Fugacity coefficient
+    Real  philiqbubl_c[Nc];
+    Real phibubl[Nc](each start = 0.5) "Liquid Phase Fugacity coefficient";
+    Real PCFbubl_c[Nc] "Poynting Correction Factor";
+    //Phase Envelope
+    Real Pvap_c[Nc](each unit = "Pa") "Saturated Vapour Pressure at the input temperature";
+    Real PCF_c[Nc] "Poynting correction factor";
+    Real K_c[Nc](each start = 0.7) "Distribution Coefficient";
+    //Residual Energy Parameters
+    Real Cpres_p[3], Hres_p[3], Sres_p[3];
+    //Transport Properties at the input conditions
+    Real Density[Nc](each unit = "kmol/m^3");
+    Real A[Nc], B[Nc], D[Nc], E[Nc], Ff[Nc];
+    Real Cc[Nc];
+    Real A_bubl[Nc], B_bubl[Nc], C_bubl[Nc], D_bubl[Nc], E_bubl[Nc], F_bubl[Nc];
+    Real A_dew[Nc], B_dew[Nc], C_dew[Nc], D_dew[Nc], E_dew[Nc], F_dew[Nc];
+    //===========================================================================================================
+    //Equation Section
+  equation
+//Fugacity coefficients set to 1 since the model type is Activity Coefficient
+    for i in 1:Nc loop
+       philiqbubl_c[i] = 1;
+       phivapdew_c[i] = 1;
+    end for;
+//Calculation of Intermediate parameters to evaluate combinatorial and residual part of the activity coefficient
+//Note : compMolFrac is the referenced from "Material Stream" model
+    r = sum(x_pc[2, :] .* R[:]);
+    q = sum(x_pc[2, :] .* Q[:]);
+//Calculation of Energy interaction parameter at the input tempetraure
+//Function :Tow_UNIQUAC is used to instantiated
+    tow = Simulator.Files.ThermodynamicFunctions.TowUNIQUAC(Nc, a, T);
+//Calculation of Combinatorial and Residual Activity coefficient
+    for i in 1:Nc loop
+      if q > 0 then
+        theta_c[i] = x_pc[2, i] * Q[i] * (1 / q);
+      elseif q < 0 then
+        theta_c[i] = 0;
+      else
+        theta_c[i] = 0;
+      end if;
+    end for;
+    for i in 1:Nc loop
+      if theta_c[i] == 0 then
+        S_c[i] = 1;
+      else
+        S_c[i] = sum(theta_c[:] .* tow[i, :]);
+      end if;
+      if S_c[i] == 1 then
+        Sum_c[i] = 0;
+      else
+        Sum_c[i] = sum(theta_c[:] .* tow[i, :] ./ S_c[:]);
+      end if;
+    end for;
+    for i in 1:Nc loop
+      if S_c[i] == 1 then
+        Cc[i] = 0;
+      elseif S_c[i] > 0 then
+        Cc[i] = log(S_c[i]);
+      else
+        Cc[i] = 0;
+      end if;
+      gmares_c[i] = exp(Q[i] * (1 - Cc[i] - Sum_c[i]));
+    end for;
+// //===================================================================
+//     equation
+    for i in 1:Nc loop
+      if r > 0 then
+        D[i] = R[i] / r;
+      elseif r <= 0 then
+        D[i] = 0;
+      else
+        D[i] = 0;
+      end if;
+      if q > 0 then
+        E[i] = Q[i] / q;
+      elseif q <= 0 then
+        E[i] = 0;
+      else
+        E[i] = 0;
+      end if;
+      if E[i] == 0 or D[i] == 0 then
+        Ff[i] = 0;
+      else
+        Ff[i] = D[i] / E[i];
+      end if;
+      if D[i] > 0 then
+        A[i] = log(D[i]);
+      elseif D[i] == 1 then
+        A[i] = 0;
+      else
+        A[i] = 0;
+      end if;
+      if Ff[i] > 1 then
+        B[i] = log(Ff[i]);
+      elseif Ff[i] == 1 then
+        B[i] = 0;
+      else
+        B[i] = 0;
+      end if;
+      log(gmacom_c[i]) = 1 - D[i] + A[i] + (-Z / 2 * Q[i] * (1 - Ff[i] + B[i]));
+      gma_c[i] = gmacom_c[i] * gmares_c[i];
+    end for;
+//=====================================================================================================
+//Excess Energy parameters are set to 0 since the calculation mode is Ideal
+    Cpres_p[:] = zeros(3);
+    Hres_p[:] = zeros(3);
+    Sres_p[:] = zeros(3);
+//Calculation of Saturated vapour pressure and Density at the given input condition
+    for i in 1:Nc loop
+      Pvap_c[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, T);
+      Density[i] = Simulator.Files.ThermodynamicFunctions.Dens(C[i].LiqDen, C[i].Tc, T, P) * 1E-3;
+    end for;
+//Calculation of Poynting correction Factor at input conditions,Bubble Point and Dew Point
+//Function :Poynting_CF is called from the Simulator Package
+  for i in 1:Nc loop
+    PCF_c[i] = ThermodynamicFunctions.PoyntingCF(Nc,C[i].Pc,C[i].Tc,C[i].Racketparam,C[i].AF,C[i].MW, T, P, gma_c[i], Pvap_c[i], Density[i]);
+    PCFbubl_c[i] = ThermodynamicFunctions.PoyntingCF(Nc,C[i].Pc,C[i].Tc,C[i].Racketparam,C[i].AF,C[i].MW, T, Pbubl, gma_c[i], Pvap_c[i], Density[i]);
+    PCFdew_c[i] = ThermodynamicFunctions.PoyntingCF(Nc,C[i].Pc,C[i].Tc,C[i].Racketparam,C[i].AF, C[i].MW, T, Pdew, gma_c[i], Pvap_c[i], Density[i]);
+  end for;
+//Calculation of Fugacity coefficient with Poynting correction
+    phil[:] = gma_c[:] .* Pvap_c[:] ./ P .* PCF_c[:];
+    phil[:] = gmanew_c[:] .* Pvap_c[:] ./ P;
+//Calculation of Distribution coefficient
+    K_c[:] = gmanew_c[:] .* Pvap_c[:] ./ P;
+//Binary Phase Envelope
+//The same calculation routine is followed at the DewPoint
+//Dew Point
+    rdew = sum(xliqdew_c[:] .* R[:]);
+    qdew = sum(xliqdew_c[:] .* Q[:]);
+    for i in 1:Nc loop
+      if qdew == 0 or x_pc[1, i] == 0 then
+        xliqdew_c[i] = 0;
+      else
+        xliqdew_c[i] = x_pc[1, i] * Pdew / (gmadew_c[i] * Pvap_c[i]);
+      end if;
+      if qdew == 0 or xliqdew_c[i] == 0 then
+        thetadew_c[i] = 0;
+      else
+        thetadew_c[i] = xliqdew_c[i] * Q[i] * (1 / qdew);
+      end if;
+      if thetadew_c[i] == 0 then
+        Sdew_c[i] = 1;
+      else
+        Sdew_c[i] = sum(thetadew_c[:] .* tow[i, :]);
+      end if;
+    end for;
+//===================================================================================================
+    for i in 1:Nc loop
+      if Sdew_c[i] == 1 then
+        sum_dew[i] = 0;
+      else
+        sum_dew[i] = sum(thetadew_c[:] .* tow[i, :] ./ Sdew_c[:]);
+      end if;
+      if Sdew_c[i] == 1 then
+        C_dew[i] = 0;
+      elseif Sdew_c[i] > 0 then
+        C_dew[i] = log(Sdew_c[i]);
+      else
+        C_dew[i] = 0;
+      end if;
+       gmardew_c[i] = exp(Q[i] * (1 - C_dew[i] - sum_dew[i]));
+    end for;
+//===============================================================================================
+    for i in 1:Nc loop
+      if rdew == 0 then
+        D_dew[i] = 0;
+      else
+        D_dew[i] = R[i] / rdew;
+      end if;
+      if qdew == 0 then
+        E_dew[i] = 0;
+      else
+        E_dew[i] = Q[i] / qdew;
+      end if;
+      if E_dew[i] == 0 then
+        F_dew[i] = 0;
+      else
+        F_dew[i] = D_dew[i] / E_dew[i];
+      end if;
+      if D_dew[i] > 0 then
+        A_dew[i] = log(D_dew[i]);
+      elseif D_dew[i] == 1 then
+        A_dew[i] = 0;
+      else
+        A_dew[i] = 0;
+      end if;
+      if F_dew[i] > 0 then
+        B_dew[i] = log(F_dew[i]);
+      elseif F_dew[i] == 1 then
+        B_dew[i] = 0;
+      else
+        B_dew[i] = 0;
+      end if;
+      log( gmacdew_c[i]) = 1 - D_dew[i] + A_dew[i] + (-Z / 2 * Q[i] * (1 - F_dew[i] + B_dew[i]));
+       gmaolddew_c[i] =  gmacdew_c[i] *  gmardew_c[i];
+    end for;
+    for i in 1:Nc loop
+      if Pdew == 0 then
+        phildew_c[i] = 1;
+        gmadew_c[i] = 1;
+      else
+        phildew_c[i] =  gmaolddew_c[i] .* Pvap_c[i] ./ Pdew .* PCFdew_c[i];
+        phildew_c[i] = gmadew_c[i] .* Pvap_c[i] ./ Pdew;
+      end if;
+    end for;
+//The same calculation routine is followed at the Bubble Point
+//Bubble Point
+    rbubl = sum(x_pc[1, :] .* R[:]);
+    qbubl = sum(x_pc[1, :] .* Q[:]);
+    for i in 1:Nc loop
+      if x_pc[1, i] == 0 then
+        thetabubl_c[i] = 0;
+      else
+        thetabubl_c[i] = x_pc[1, i] * Q[i] * (1 / qbubl);
+      end if;
+      if thetabubl_c[i] == 0 then
+        Sbubl_c[i] = 1;
+      else
+        Sbubl_c[i] = sum(thetabubl_c[:] .* tow[i, :]);
+      end if;
+      if Sbubl_c[i] == 1 then
+        Sumbubl_c[i] = 0;
+      else
+        Sumbubl_c[i] = sum(thetabubl_c[:] .* tow[i, :] ./ Sbubl_c[:]);
+      end if;
+      if Sbubl_c[i] == 1 then
+        C_bubl[i] = 0;
+      elseif Sbubl_c[i] > 0 then
+        C_bubl[i] = log(Sbubl_c[i]);
+      else
+        C_bubl[i] = 0;
+      end if;
+      log( gmarbubl_c[i]) = Q[i] * (1 - C_bubl[i] - Sumbubl_c[i]);
+//=========================================================================================================
+      if rbubl == 0 then
+        D_bubl[i] = 0;
+      else
+        D_bubl[i] = R[i] / rbubl;
+      end if;
+      if qbubl == 0 then
+        E_bubl[i] = 0;
+      else
+        E_bubl[i] = Q[i] / qbubl;
+      end if;
+      if E_bubl[i] == 0 then
+        F_bubl[i] = 0;
+      else
+        F_bubl[i] = D_bubl[i] / E_bubl[i];
+      end if;
+      if D_bubl[i] > 0 then
+        A_bubl[i] = log(D_bubl[i]);
+      elseif D_bubl[i] == 1 then
+        A_bubl[i] = 0;
+      else
+        A_bubl[i] = 0;
+      end if;
+      if F_bubl[i] > 0 then
+        B_bubl[i] = log(F_bubl[i]);
+      elseif F_bubl[i] == 1 then
+        B_bubl[i] = 0;
+      else
+        B_bubl[i] = 0;
+      end if;
+      log(gmacbubl_c[i]) = 1 - D_bubl[i] + A_bubl[i] + (-Z / 2 * Q[i] * (1 - F_bubl[i] + B_bubl[i]));
+       gmaoldbubl_c[i] = gmacbubl_c[i] *  gmarbubl_c[i];
+    end for;
+    for i in 1:Nc loop
+      if Pbubl == 0 then
+        phibubl[i] = 1;
+        gmabubl_c[i] = 1;
+      else
+        phibubl[i] =  gmaoldbubl_c[i] .* Pvap_c[i] ./ Pbubl .* PCFbubl_c[i];
+        phibubl[i] = gmabubl_c[i] .* Pvap_c[i] ./ Pbubl;
+      end if;
+    end for;
+    annotation(
+      Documentation(info = "<html>
+     <p>
+    UNIQUAC-Universal Quasi Coefficient Model
+    </p>
+    <b>Description</b>:<br>
+    </p>
+    UNIQUAC(Univeral Quasi Coefficient) model is an activity coefficient based thermodynamic model used to predict phase equilibria in Chemical Engineering. 
+    The activity coefficent comprises of two major contibutions named as combinatorial and residual contribution
+    Combinatorial contribution focusses on the deviation from ideality as a result of molecular shape while the residual contribution quantifies the enthalpic correction caused by the change in interactive forces between different molecules.<br>
+    </p>
+    <b>Equations and References</b>:<br>
+    </p>https://wikimedia.org/api/rest_v1/media/math/render/svg/21b673ea8edb013fc1675d11b7e40263bef90ffa
+    </p>
+    </tr>
+    </html>"),
+      experiment(StopTime = 1.0, Interval = 0.001));
+  end UNIQUAC;
+
+  //=======================================================================================================
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicPackages/package.mo b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/package.mo
new file mode 100644
index 0000000..95bd58e
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/package.mo
@@ -0,0 +1,6 @@
+within Simulator.Files;
+
+package ThermodynamicPackages
+  extends Modelica.Icons.VariantsPackage;
+  
+end ThermodynamicPackages;
diff --git a/src/main/Simulator/Simulator/Files/ThermodynamicPackages/package.order b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/package.order
new file mode 100644
index 0000000..8f1c507
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/ThermodynamicPackages/package.order
@@ -0,0 +1,6 @@
+RaoultsLaw
+NRTL
+UNIQUAC
+UNIFAC
+PengRobinson
+GraysonStreed
diff --git a/src/main/Simulator/Simulator/Files/TransportProperties/LiqK.mo b/src/main/Simulator/Simulator/Files/TransportProperties/LiqK.mo
new file mode 100644
index 0000000..e6886d9
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/TransportProperties/LiqK.mo
@@ -0,0 +1,10 @@
+within Simulator.Files.TransportProperties;
+
+  function LiqK
+    extends Modelica.Icons.Function;
+    input Real LiqK[6] "from chemsep database";
+    input Real T(unit = "K") "Temperature";
+    output Real kliq;
+  algorithm
+    kliq := LiqK[2] + exp(LiqK[3] / T + LiqK[4] + LiqK[5] * T + LiqK[6] * T ^ 2);
+  end LiqK;
diff --git a/src/main/Simulator/Simulator/Files/TransportProperties/LiqVis.mo b/src/main/Simulator/Simulator/Files/TransportProperties/LiqVis.mo
new file mode 100644
index 0000000..825174b
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/TransportProperties/LiqVis.mo
@@ -0,0 +1,11 @@
+within Simulator.Files.TransportProperties;
+
+ function LiqVis
+    extends Modelica.Icons.Function;
+    //This function calculates the liquid viscocity of the stream
+    input Real LiqVis[6];
+    input Real T;
+    output Real Liqvisc;
+  algorithm
+    Liqvisc := exp(LiqVis[2] + LiqVis[3] / T + LiqVis[4] * log(T) + LiqVis[5] * T ^ LiqVis[6]);
+  end LiqVis;
diff --git a/src/main/Simulator/Simulator/Files/TransportProperties/VapK.mo b/src/main/Simulator/Simulator/Files/TransportProperties/VapK.mo
new file mode 100644
index 0000000..bcb5ed3
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/TransportProperties/VapK.mo
@@ -0,0 +1,10 @@
+within Simulator.Files.TransportProperties;
+
+ function VapK
+    extends Modelica.Icons.Function;
+    input Real VapK[6] "from chemsep database";
+    input Real T(unit = "K") "Temperature";
+    output Real kvap;
+  algorithm
+    kvap := VapK[6] + VapK[2] * T ^ VapK[3] / (1 + VapK[4] / T + VapK[5] / T ^ 2);
+  end VapK;
diff --git a/src/main/Simulator/Simulator/Files/TransportProperties/VapVisc.mo b/src/main/Simulator/Simulator/Files/TransportProperties/VapVisc.mo
new file mode 100644
index 0000000..31e3dbd
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/TransportProperties/VapVisc.mo
@@ -0,0 +1,10 @@
+within Simulator.Files.TransportProperties;
+
+ function VapVisc
+    extends Modelica.Icons.Function;
+    input Real VapVis[6] "from chemsep database";
+    input Real T(unit = "K") "Temperature";
+    output Real vapvisc;
+  algorithm
+    vapvisc := VapVis[6] + VapVis[2] * T ^ VapVis[3] / (1 + VapVis[4] / T + VapVis[5] / T ^ 2);
+  end VapVisc;
diff --git a/src/main/Simulator/Simulator/Files/TransportProperties/package.mo b/src/main/Simulator/Simulator/Files/TransportProperties/package.mo
new file mode 100644
index 0000000..7bafb58
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/TransportProperties/package.mo
@@ -0,0 +1,6 @@
+within Simulator.Files;
+
+package TransportProperties
+  extends Modelica.Icons.FunctionsPackage;
+  
+end TransportProperties;
diff --git a/src/main/Simulator/Simulator/Files/TransportProperties/package.order b/src/main/Simulator/Simulator/Files/TransportProperties/package.order
new file mode 100644
index 0000000..c109137
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/TransportProperties/package.order
@@ -0,0 +1,4 @@
+LiqVis
+LiqK
+VapK
+VapVisc
diff --git a/src/main/Simulator/Simulator/Files/package.mo b/src/main/Simulator/Simulator/Files/package.mo
new file mode 100644
index 0000000..361b84f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/package.mo
@@ -0,0 +1,4 @@
+within Simulator;
+package Files
+  extends Modelica.Icons.BasesPackage;
+end Files;
diff --git a/src/main/Simulator/Simulator/Files/package.order b/src/main/Simulator/Simulator/Files/package.order
new file mode 100644
index 0000000..2d8ff2f
--- /dev/null
+++ b/src/main/Simulator/Simulator/Files/package.order
@@ -0,0 +1,8 @@
+ChemsepDatabase
+TransportProperties
+ThermodynamicFunctions
+Interfaces
+Models
+OtherFunctions
+Icons
+ThermodynamicPackages
diff --git a/src/main/Simulator/Simulator/GuessModels/GuessInput.mo b/src/main/Simulator/Simulator/GuessModels/GuessInput.mo
new file mode 100644
index 0000000..fb27ad8
--- /dev/null
+++ b/src/main/Simulator/Simulator/GuessModels/GuessInput.mo
@@ -0,0 +1,7 @@
+within Simulator.GuessModels;
+
+model GuessInput 
+
+  parameter Real Pg = 101325;
+  parameter Real Fg = 100;  
+end GuessInput;
diff --git a/src/main/Simulator/Simulator/GuessModels/InitialGuess.mo b/src/main/Simulator/Simulator/GuessModels/InitialGuess.mo
new file mode 100644
index 0000000..a52288b
--- /dev/null
+++ b/src/main/Simulator/Simulator/GuessModels/InitialGuess.mo
@@ -0,0 +1,143 @@
+within Simulator.GuessModels;
+
+model InitialGuess
+
+   //Inputs Required to generate Guess Values
+      extends GuessInput;
+      //==========================================================================================
+      //Guess variables for Pressures and Temperatures
+      protected
+      parameter Real xguess[Nc](each fixed = false);
+       parameter Real Tg(fixed = false);
+       parameter Real Temp(fixed = false, start = 300);
+       parameter Real Pxc[Nc](each fixed = false), Pxm[Nc](each fixed = false);
+       parameter Real Px(fixed = false);
+       parameter Real Pmin(fixed = false), Pmax(fixed = false);
+       parameter Real Tc[Nc](each fixed = false);
+       parameter Real Psatt[Nc](each fixed = false);
+       parameter Real Psatbg[Nc](each fixed = false);
+       parameter Real Psatdg[Nc](each fixed = false);
+       parameter Real Tbg(fixed = false, start = 200);
+       parameter Real Tdg(fixed = false, start = 300);
+      
+     //Guess Variables for Enthalpies
+       parameter Real Htotg(fixed = false);
+       parameter Real Hliqg(fixed = false);
+       parameter Real Hvapg(fixed = false);
+       parameter Real Hmixg(fixed = false);
+       parameter Real Hcompg[Nc](each fixed = false);
+       parameter Real Hcomplg[Nc](each fixed = false);
+       parameter Real Hcompvg[Nc](each fixed = false);
+      //Guess variables for MoleFractions
+      parameter Real ymol[Nc](each fixed = false), xmol[Nc](each fixed = false);
+      parameter Real xg[Nc](each fixed = false), yg[Nc](each fixed = false);
+      
+      //Guess for VLE variables
+      parameter Real xvapg(fixed = false), xliqg(fixed = false);
+      parameter Real Beta(fixed = false), Alpha(fixed = false);
+      parameter Real K_guess[Nc](each fixed = false);
+     
+      //Flow Rate-Guess
+      parameter Real Fliqg(fixed = false), Fvapg(fixed = false);
+    
+      //======================================================================================
+    initial equation
+     for i in 1:Nc loop
+     xguess[i] = 1/Nc;
+     end for;
+//Initial guess for tray temperature
+      Temp = (Tbg + Tdg) / 2;
+//Generation of Dew Temperatures for DC_guess
+      Pg = 1 / sum(xguess[:] ./ Psatdg);
+//Generation of Bubble Temperature for DC guess-(Temperatures)
+      Pg = sum(xguess[:] .* Psatbg[:]);
+      for i in 1:Nc loop
+        Psatbg[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, Tbg);
+        Psatdg[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, Tdg);
+      end for;
+      Fg = Fliqg + Fvapg;
+      xguess[1] * Fg = xg[1] * Fliqg + yg[1] * Fvapg;
+//============================================================================
+      Tc = C.Tc;
+      for i in 1:Nc loop
+        Psatt[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, Temp);
+        K_guess[i] = Psatt[i] / Pg;
+      end for;
+      xliqg = 1 - xvapg;
+//=============================================================================
+      if Pg >= Pmax then
+        xvapg = 0;
+      elseif Pg >= Pmin then
+        xvapg = (Pg - Pmin) / (Pmax - Pmin);
+      else
+        xvapg = 1;
+      end if;
+//==============================================================================
+      if xvapg > 1 then
+        Beta = 1;
+      elseif xvapg < 0 then
+        Beta = 0;
+      else
+        Beta = xvapg;
+      end if;
+      Alpha = 1 - Beta;
+      for i in 1:Nc loop
+        if xguess[i] <> 0 then
+          if Beta > 0 and Beta <> 1 then
+            ymol[i] = xguess[i] * K_guess[i] / ((K_guess[i] - 1) * xvapg + 1);
+          elseif Beta == 1 then
+            ymol[i] = xguess[i];
+          else
+            ymol[i] = 0;
+          end if;
+          if Beta > 0 and Beta < 1 then
+            xmol[i] = ymol[i] / K_guess[i];
+          elseif Beta == 0 then
+            xmol[i] = xguess[i];
+          else
+            xmol[i] = 0;
+          end if;
+        else
+          xmol[i] = 0;
+          ymol[i] = 0;
+        end if;
+      end for;
+      for i in 1:Nc loop
+        if xmol[i] < 0 then
+          xg[i] = 0;
+        elseif xg[i] > 1 then
+          xg[i] = 1;
+        else
+          xg[i] = xmol[i];
+        end if;
+        if ymol[i] < 0 then
+          yg[i] = 0;
+        elseif ymol[i] > 1 then
+          yg[i] = 1;
+        else
+          yg[i] = ymol[i];
+        end if;
+      end for;
+//Algorithm for computing the minimum pressure and maximum pressure of the system
+      for i in 1:Nc loop
+        Pxc[i] = xguess[i] / Psatt[i];
+      end for;
+      Px = sum(Pxc[:]);
+      Pmin = 1 / Px;
+      for i in 1:Nc loop
+        Pxm[i] = xguess[i] * Psatt[i];
+      end for;
+      Pmax = sum(Pxm[:]);
+//Generating the temperature in case of PH Flash
+      Tg = Temp;
+      Htotg = Hmixg;
+      for i in 1:Nc loop
+        Hcompg[i] = xguess[i] * Htotg;
+        Hcomplg[i] = Simulator.Files.ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, Temp);
+        Hcompvg[i] = Simulator.Files.ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, Temp);
+      end for;
+      Htotg = Hliqg + Hvapg;
+      Hliqg = sum(xguess .* Hcomplg);
+      Hvapg = sum(xguess .* Hcompvg);
+    equation
+end InitialGuess;
diff --git a/src/main/Simulator/Simulator/GuessModels/package.mo b/src/main/Simulator/Simulator/GuessModels/package.mo
new file mode 100644
index 0000000..585e061
--- /dev/null
+++ b/src/main/Simulator/Simulator/GuessModels/package.mo
@@ -0,0 +1,4 @@
+within Simulator;
+package GuessModels
+  extends Modelica.Icons.UtilitiesPackage;
+end GuessModels;
diff --git a/src/main/Simulator/Simulator/GuessModels/package.order b/src/main/Simulator/Simulator/GuessModels/package.order
new file mode 100644
index 0000000..846e250
--- /dev/null
+++ b/src/main/Simulator/Simulator/GuessModels/package.order
@@ -0,0 +1,2 @@
+InitialGuess
+GuessInput
diff --git a/src/main/Simulator/Simulator/Streams/EnergyStream.mo b/src/main/Simulator/Simulator/Streams/EnergyStream.mo
new file mode 100644
index 0000000..b7cfa29
--- /dev/null
+++ b/src/main/Simulator/Simulator/Streams/EnergyStream.mo
@@ -0,0 +1,14 @@
+within Simulator.Streams;
+
+model EnergyStream
+  extends Simulator.Files.Icons.EnergyStream;
+  Real Q;
+  Simulator.Files.Interfaces.enConn In annotation(
+    Placement(visible = true, transformation(origin = {-100, -2}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Files.Interfaces.enConn Out annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+equation
+//connector equation
+  Q = In.Q;
+  Q = Out.Q;
+end EnergyStream;
diff --git a/src/main/Simulator/Simulator/Streams/MaterialStream.mo b/src/main/Simulator/Simulator/Streams/MaterialStream.mo
new file mode 100644
index 0000000..6d78e99
--- /dev/null
+++ b/src/main/Simulator/Simulator/Streams/MaterialStream.mo
@@ -0,0 +1,142 @@
+within Simulator.Streams;
+
+model MaterialStream "Model representing Material Stream"
+  //1 -  Mixture, 2 - Liquid phase, 3 - Gas Phase
+
+  extends Simulator.Files.Icons.MaterialStream;
+  import Simulator.Files.*;
+  parameter Integer Nc "Number of components";
+  parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+  Real P(unit = "Pa", min = 0, start = Pg) "Pressure";
+  Real T(unit = "K", start = Tg) "Temperature";
+  Real Pbubl(unit = "Pa", min = 0, start = Pmin) "Bubble point pressure";
+  Real Pdew(unit = "Pa", min = 0, start = Pmax) "dew point pressure";
+  Real xliq(unit = "-", start = xliqg, min = 0, max = 1) "Liquid Phase mole fraction";
+  Real xvap(unit = "-", start = xvapg, min = 0, max = 1) "Vapor Phase mole fraction";
+  Real xmliq(unit = "-", start = xliqg, min = 0, max = 1) "Liquid Phase mass fraction";
+  Real xmvap(unit = "-",start =xvapg, min = 0, max = 1) "Vapor Phase Mass fraction";
+  Real F_p[3](each unit = "mol/s", each min = 0, start={Fg,Fliqg,Fvapg}) "Total molar flow in phase";
+  Real Fm_p[3](each unit = "kg/s", each min = 0, each start = Fg) "Total mass flow in phase";
+  Real MW_p[3](each unit = "-", each start = 0, each min = 0) "Average Molecular weight in phase";
+  Real x_pc[3, Nc](each unit = "-", each min = 0, each max = 1, start={xguess,xg,yg}) "Component mole fraction in phase";
+  Real xm_pc[3, Nc](each unit ="-", start={xguess,xg,yg}, each min = 0, each max = 1) "Component mass fraction in phase";
+  Real F_pc[3, Nc](each unit = "mol/s", each start = Fg, each min = 0) "Component molar flow in phase";
+  Real Fm_pc[3, Nc](each unit = "kg/s", each min = 0, each start = Fg) "Component mass flow in phase";
+  Real Cp_p[3](each unit = "kJ/[kmol.K]",start={Hmixg,Hliqg,Hvapg}) "Phase molar specific heat";
+  Real Cp_pc[3, Nc](each unit = "kJ/[kmol.K]") "Component molar specific heat in phase";
+  Real H_p[3](each unit = "kJ/kmol",start={Hmixg,Hliqg,Hvapg}) "Phase molar enthalpy";
+  Real H_pc[3, Nc](each unit = "kJ/kmol") "Component molar enthalpy in phase";
+  Real S_p[3](each unit = "kJ/[kmol.K]") "Phase molar entropy";
+  Real S_pc[3, Nc](each unit = "kJ/[kmol.K]") "Component molar entropy in phase";
+  Simulator.Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+
+  extends GuessModels.InitialGuess(Nc = Nc);
+
+equation
+//Connector equations
+  In.P = P;
+  In.T = T;
+  In.F = F_p[1];
+  In.H = H_p[1];
+  In.S = S_p[1];
+  In.x_pc = x_pc;
+  In.xvap = xvap;
+  Out.P = P;
+  Out.T = T;
+  Out.F = F_p[1];
+  Out.H = H_p[1];
+  Out.S = S_p[1];
+  Out.x_pc = x_pc;
+  Out.xvap = xvap;
+//=====================================================================================
+//Mole Balance
+  F_p[1] = F_p[2] + F_p[3];
+//  x_pc[1, :] .* F_p[1] = x_pc[2, :] .* F_p[2] + x_pc[3, :] .* F_p[3];
+//component molar and mass flows
+  for i in 1:Nc loop
+    F_pc[:, i] = x_pc[:, i] .* F_p[:];
+  end for;
+  if P >= Pbubl then
+//below bubble point region
+    xm_pc[3, :] = zeros(Nc);
+    Fm_pc[1, :] = xm_pc[1, :] .* Fm_p[1];
+    xm_pc[2, :] = xm_pc[1, :];
+  elseif P >= Pdew then
+    for i in 1:Nc loop
+      Fm_pc[:, i] = xm_pc[:, i] .* Fm_p[:];
+    end for;
+  else
+//above dew point region
+    xm_pc[2, :] = zeros(Nc);
+    Fm_pc[1, :] = xm_pc[1, :] .* Fm_p[1];
+    xm_pc[3, :] = xm_pc[1, :];
+  end if;
+//phase molar and mass fractions
+  xliq = F_p[2] / F_p[1];
+  xvap = F_p[3] / F_p[1];
+  xmliq = Fm_p[2] / Fm_p[1];
+  xmvap = Fm_p[3] / Fm_p[1];
+//Conversion between mole and mass flow
+  for i in 1:Nc loop
+    Fm_pc[:, i] = F_pc[:, i] * C[i].MW;
+  end for;
+  Fm_p[:] = F_p[:] .* MW_p[:];
+//Energy Balance
+  for i in 1:Nc loop
+//Specific Heat and Enthalpy calculation
+    Cp_pc[2, i] = ThermodynamicFunctions.LiqCpId(C[i].LiqCp, T);
+    Cp_pc[3, i] = ThermodynamicFunctions.VapCpId(C[i].VapCp, T);
+    H_pc[2, i] = ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+    H_pc[3, i] = ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+    (S_pc[2, i], S_pc[3, i]) = ThermodynamicFunctions.SId(C[i].VapCp, C[i].HOV, C[i].Tb, C[i].Tc, T, P, x_pc[2, i], x_pc[3, i]);
+  end for;
+  for i in 2:3 loop
+    Cp_p[i] = sum(x_pc[i, :] .* Cp_pc[i, :]) + Cpres_p[i];
+    H_p[i] = sum(x_pc[i, :] .* H_pc[i, :]) + Hres_p[i];
+    S_p[i] = sum(x_pc[i, :] .* S_pc[i, :]) + Sres_p[i];
+  end for;
+  Cp_p[1] = xliq * Cp_p[2] + xvap * Cp_p[3];
+  Cp_pc[1, :] = x_pc[1, :] .* Cp_p[1];
+  H_p[1] = xliq * H_p[2] + xvap * H_p[3];
+  H_pc[1, :] = x_pc[1, :] .* H_p[1];
+  S_p[1] = xliq * S_p[2] + xvap * S_p[3];
+  S_pc[1, :] = x_pc[1, :] * S_p[1];
+//Bubble point calculation
+  Pbubl = sum(gmabubl_c[:] .* x_pc[1, :] .* exp(C[:].VP[2] + C[:].VP[3] / T + C[:].VP[4] * log(T) + C[:].VP[5] .* T .^ C[:].VP[6]) ./ philiqbubl_c[:]);
+//Dew point calculation
+  Pdew = 1 / sum(x_pc[1, :] ./ (gmadew_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / T + C[:].VP[4] * log(T) + C[:].VP[5] .* T .^ C[:].VP[6])) .* phivapdew_c[:]);
+  if P >= Pbubl then
+//below bubble point region
+    x_pc[3, :] = zeros(Nc);
+//    sum(x_pc[2, :]) = 1;
+    F_p[3] = 0;
+    x_pc[2,:] = x_pc[1,:];
+  elseif P >= Pdew then
+//VLE region
+    for i in 1:Nc loop
+      x_pc[3, i] = K_c[i] * x_pc[2, i];
+      x_pc[2, i] = x_pc[1, i] ./ (1 + xvap * (K_c[i] - 1));
+    end for;
+    sum(x_pc[3, :]) = 1;
+//sum y = 1
+  else
+//above dew point region
+    x_pc[2, :] = zeros(Nc);
+//    sum(x_pc[3, :]) = 1;
+    F_p[2] = 0;
+    x_pc[3, :] = x_pc[1, :];
+  end if;
+algorithm
+  for i in 1:Nc loop
+    MW_p[:] := MW_p[:] + C[i].MW * x_pc[:, i];
+  end for;
+
+annotation(
+    Documentation(info = "<html><head></head><body><div><!--StartFragment-->A <strong>Material Stream</strong> represents whatever enters and leaves the simulation passing through the unit operations.<!--EndFragment-->
+
+</div><div><br></div><div>For variables which are decalared as 1-D array, the array size represent the phase where the array element indices 1 represents mixed phase, 2 represents liquid phase and 3 represents vapor phase.</div><div><br></div><div>For example, variable <b>F_p[3]</b> represents <i>Total molar flow in different phase</i>. So when simulated, the variables in the results will be as follow:</div><div>F_p[1] is Molar flow in mixed phase</div><div>F_p[2] is Molar flow in liquid phase</div><div>F_p[3] is Molar flow in vapor phase</div><div><br></div><div><br></div><div>For variables which are decalared as 2-D array, the first indice represent phase and second indice represents components.<div><br></div><div>For example, variable&nbsp;<b>F_pc[3,Nc]</b>&nbsp;represents <i>Component&nbsp;molar flow in different phase</i>. So when simulated, the variables in the results will be as follow:</div><div>F_pc[1,Nc] is Molar flow of Nc<sup>th</sup> in mixed phase</div><div>F_pc[2,Nc] is Molar flow of Nc<sup>th</sup> in liquid phase</div><div>F_pc[3,Nc] is Molar flow of Nc<sup>th</sup> in vapor phase</div></div><div><br></div><div><br></div><div>For examples on simulating a material stream, go to <b><i>Examples</i></b> &gt;&gt; <i><b>MaterialStream</b></i></div></body></html>"));
+    
+    end MaterialStream;
diff --git a/src/main/Simulator/Simulator/Streams/package.mo b/src/main/Simulator/Simulator/Streams/package.mo
new file mode 100644
index 0000000..74a32da
--- /dev/null
+++ b/src/main/Simulator/Simulator/Streams/package.mo
@@ -0,0 +1,4 @@
+within Simulator;
+package Streams
+  extends Modelica.Icons.VariantsPackage;
+end Streams;
diff --git a/src/main/Simulator/Simulator/Streams/package.order b/src/main/Simulator/Simulator/Streams/package.order
new file mode 100644
index 0000000..4d1c5ab
--- /dev/null
+++ b/src/main/Simulator/Simulator/Streams/package.order
@@ -0,0 +1,2 @@
+MaterialStream
+EnergyStream
diff --git a/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/AbsCol.mo b/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/AbsCol.mo
new file mode 100644
index 0000000..6f962ec
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/AbsCol.mo
@@ -0,0 +1,50 @@
+within Simulator.UnitOperations.AbsorptionColumn;
+
+model AbsCol
+    extends Simulator.Files.Icons.AbsorptionColumn;
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter data.GeneralProperties C[Nc];
+    parameter Integer Nc "Number of Components";
+    parameter Integer Nt;
+ 
+    Simulator.Files.Interfaces.matConn In_Top(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-100, 80}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-250, 302}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn In_Bot(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-100, -80}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-250, -300}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn Out_Top(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {100, 80}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {250, 300}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn Out_Bot(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {100, -80}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {250, -300}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+//connector equation
+    tray[1].Fliq_s[1] = In_Top.F;
+    tray[1].xliq_sc[1, :] = In_Top.x_pc[1, :];
+    tray[1].Hliq_s[1] = In_Top.H;
+    tray[1].Fvap_s[2] = Out_Top.F;
+    tray[1].xvap_sc[2, :] = Out_Top.x_pc[1, :];
+//  tray[1].vapMolEnth[2] = Out_Top.mixMolEnth;
+    tray[1].T = Out_Top.T;
+    tray[Nt].Fliq_s[2] = Out_Bot.F;
+    tray[Nt].xliq_sc[2, :] = Out_Bot.x_pc[1, :];
+//  tray[Nt].liqMolEnth[2] = Out_Bot.mixMolEnth;
+    tray[Nt].T = Out_Bot.T;
+    tray[Nt].Fvap_s[1] = In_Bot.F;
+    tray[Nt].xvap_sc[1, :] = In_Bot.x_pc[1, :];
+    tray[Nt].Hvap_s[1] = In_Bot.H;
+    for i in 1:Nt - 1 loop
+      connect(tray[i].Out_Liq, tray[i + 1].In_Liq);
+      connect(tray[i].In_Vap, tray[i + 1].Out_Vap);
+    end for;
+//tray pressures
+    for i in 2:Nt - 1 loop
+      tray[i].P = tray[1].P + i * (tray[Nt].P - tray[1].P) / (Nt - 1);
+    end for;
+    tray[1].P = In_Top.P;
+    tray[Nt].P = In_Bot.P;
+    tray[1].P = Out_Top.P;
+    tray[Nt].P = Out_Bot.P;
+    annotation(
+      Icon(coordinateSystem(extent = {{-250, -450}, {250, 450}})),
+      Diagram(coordinateSystem(extent = {{-250, -450}, {250, 450}})),
+      __OpenModelica_commandLineOptions = "");
+end AbsCol;
diff --git a/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/AbsTray.mo b/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/AbsTray.mo
new file mode 100644
index 0000000..25b9baf
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/AbsTray.mo
@@ -0,0 +1,75 @@
+within Simulator.UnitOperations.AbsorptionColumn;
+
+model AbsTray
+    import Simulator.Files.*;
+    parameter Integer Nc;
+    parameter ChemsepDatabase.GeneralProperties C[Nc];
+    Real P(min = 0, start = Pg);
+    Real T(min = 0, start = Tg);
+    Real Fvap_s[2](each min = 0, start={Fg,Fg});
+    Real Fliq_s[2](each min = 0, start={Fliqg,Fliqg});
+    Real xvap_sc[2, Nc](each min = 0, each max = 1, start=xvapg);
+    Real xliq_sc[2, Nc](each min = 0, each max = 1, start=xliqg);
+    Real Hvap_s[2](start={Hvapg,Hvapg}), Hliq_s[2](start={Hliqg,Hliqg}), Hvapout_c[Nc], Hliqout_c[Nc];
+    Real x_pc[3, Nc](each min =0, each max = 0,start=xliqg);
+    Real Pdew(min = 0, start =Pmax);
+    Real Pbubl(min = 0, start =Pmin);
+  
+    Simulator.Files.Interfaces.trayConn In_Liq(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn Out_Liq(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn Out_Vap(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn In_Vap(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+    extends GuessModels.InitialGuess;
+  equation
+//connector equation
+    In_Liq.F = Fliq_s[1];
+    In_Liq.H = Hliq_s[1];
+    In_Liq.x_c[:] = xliq_sc[1, :];
+    Out_Liq.F = Fliq_s[2];
+    Out_Liq.H = Hliq_s[2];
+    Out_Liq.x_c[:] = xliq_sc[2, :];
+    In_Vap.F = Fvap_s[1];
+    In_Vap.H = Hvap_s[1];
+    In_Vap.x_c[:] = xvap_sc[1, :];
+    Out_Vap.F = Fvap_s[2];
+    Out_Vap.H = Hvap_s[2];
+    Out_Vap.x_c[:] = xvap_sc[2, :];
+//Adjustment for thermodynamic packages
+    x_pc[1, :] = (Fvap_s[2] .* xvap_sc[2, :] + Fliq_s[2] .* xliq_sc[2, :]) / (Fliq_s[2] + Fvap_s[2]);
+    x_pc[2, :] = xliq_sc[2,:];
+    x_pc[3, :] = xvap_sc[2,:];
+//Bubble point calculation
+    Pbubl = sum(gmabubl_c[:] .* x_pc[1, :] .* exp(C[:].VP[2] + C[:].VP[3] / T + C[:].VP[4] * log(T) + C[:].VP[5] .* T .^ C[:].VP[6]) ./ philiqbubl_c[:]);
+//Dew point calculation
+    Pdew = 1 / sum(x_pc[1, :] ./ (gmadew_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / T + C[:].VP[4] * log(T) + C[:].VP[5] .* T .^ C[:].VP[6])) .* phivapdew_c[:]);
+//molar balance
+    Fvap_s[1] .* xvap_sc[1, :] + Fliq_s[1] .* xliq_sc[1, :] = Fvap_s[2] .* xvap_sc[2, :] + Fliq_s[2] .* xliq_sc[2, :];
+//equillibrium
+    xvap_sc[2, :] = K_c[:] .* xliq_sc[2, :];
+//raschford rice
+//  xliq_sc[2, :] = ((Fvap_s[1] .* xvap_sc[1, :] + Fliq_s[1] .* xliq_sc[1, :])/(Fvap_s[1] + Fliq_s[1]))./(1 .+ (Fvap_s[1]/(Fliq_s[1] + Fvap_s[1])) .* (K[:] .- 1));
+//  for i in 1:Nc loop
+//    xvap_sc[2,i] = ((K[i]/(K[1])) * xliq_sc[2,i]) / (1 + (K[i] / (K[1])) * xliq_sc[2,i]);
+//  end for;
+//summation equation
+    sum(xliq_sc[2, :]) = 1;
+    sum(xvap_sc[2, :]) = 1;
+// Enthalpy balance
+    Fvap_s[1] * Hvap_s[1] + Fliq_s[1] * Hliq_s[1] = Fvap_s[2] * Hvap_s[2] + Fliq_s[2] * Hliq_s[2];
+//enthalpy calculation
+    for i in 1:Nc loop
+      Hliqout_c[i] = ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+      Hvapout_c[i] = ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+    end for;
+    Hliq_s[2] = sum(xliq_sc[2, :] .* Hliqout_c[:]) + Hres_p[2];
+    Hvap_s[2] = sum(xvap_sc[2, :] .* Hvapout_c[:]) + Hres_p[3];
+    annotation(
+      Diagram(coordinateSystem(extent = {{-100, -40}, {100, 40}})),
+      Icon(coordinateSystem(extent = {{-100, -40}, {100, 40}})),
+      __OpenModelica_commandLineOptions = "");
+  end AbsTray;
diff --git a/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/package.mo b/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/package.mo
new file mode 100644
index 0000000..5afa5fc
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/package.mo
@@ -0,0 +1,5 @@
+within Simulator.UnitOperations;
+
+package AbsorptionColumn
+  extends Modelica.Icons.Package;
+end AbsorptionColumn;
diff --git a/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/package.order b/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/package.order
new file mode 100644
index 0000000..8322d9c
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/AbsorptionColumn/package.order
@@ -0,0 +1,2 @@
+AbsTray
+AbsCol
diff --git a/src/main/Simulator/Simulator/UnitOperations/AdiabaticCompressor.mo b/src/main/Simulator/Simulator/UnitOperations/AdiabaticCompressor.mo
new file mode 100644
index 0000000..19e4248
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/AdiabaticCompressor.mo
@@ -0,0 +1,78 @@
+within Simulator.UnitOperations;
+
+model AdiabaticCompressor "Model of an adiabatic compressor to provide energy to vapor stream in form of pressure"
+  extends Simulator.Files.Icons.AdiabaticCompressor;
+  
+  extends Simulator.Files.Models.Flash;
+  parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+  parameter Integer Nc "number of components";
+
+  //====================================================================================
+  Real Fin(unit = "mol/s", min = 0, start = Fg) "Inlet stream molar flow rate";
+  Real Pin(unit = "Pa", min = 0, start = Pg) "Inlet stream pressure"; 
+  Real Tin(unit = "K", min = 0, start = Tg) "Inlet stream temperature";
+  Real Hin(unit = "kJ/kmol",start=Htotg) "Inlet stream molar enthalpy";
+  Real Sin(unit = "kJ/[kmol/K]") "Inlet stream molar entropy";
+  Real xvapin(unit = "-", min = 0, max = 1, start = xvapg) "Inlet stream vapor phase mol fraction";   
+  
+  Real Fout(min = 0, start = Fg) "Outlet stream molar flow rate";
+  Real Q(unit = "W") "Power required";
+  Real Pdel(unit = "Pa") "Pressure increase"; 
+  Real Tdel(unit = "K") "Temperature increase"; 
+
+  Real Pout(unit = "Pa", min = 0, start = Pg) "Outlet stream pressure";
+  Real Tout(unit = "Pa", min = 0, start = Tg) "Outlet stream temperature";
+  Real Hout(unit = "kJ/kmol",start=Htotg) "Outlet stream molar enthalpy";
+  Real Sout(unit = "kJ/[kmol.K]") "Outlet stream molar entropy";
+  Real xvapout(unit = "-", min = 0, max = 1, start = xvapg) "Outlet stream vapor phase mole fraction";
+  Real x_c[Nc](each unit = "-", each min = 0, each max = 1,start=xg) "Component mole fraction";
+ 
+  parameter Real Eff(unit = "-") "Efficiency";
+
+  //========================================================================================
+  Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.enConn En annotation(
+    Placement(visible = true, transformation(origin = {0, -100}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {0, -66}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  //========================================================================================
+  
+  extends GuessModels.InitialGuess;
+  
+equation
+//connector equations
+  In.P = Pin;
+  In.T = Tin;
+  In.F = Fin;
+  In.H = Hin;
+  In.S = Sin;
+  In.x_pc[1, :] = x_c[:];
+  In.xvap = xvapin;
+  Out.P = Pout;
+  Out.T = Tout;
+  Out.F = Fout;
+  Out.H = Hout;
+  Out.S = Sout;
+  Out.x_pc[1, :] = x_c[:];
+  Out.xvap = xvapout;
+  En.Q = Q;
+//=============================================================================================
+  Fin = Fout;
+//material balance
+  Hout = Hin + (H_p[1] - Hin) / Eff;
+  Q = Fin * (H_p[1] - Hin) / Eff;
+//energy balance
+  Pin + Pdel = Pout;
+//pressure calculation
+  Tin + Tdel = Tout;
+//temperature calculation
+//=========================================================================
+//ideal flash
+  Fin = F_p[1];
+  Pout = P;
+  Sin = S_p[1];
+  x_c[:] = x_pc[1, :];
+annotation(
+    Documentation(info = "<html><head></head><body><div style=\"font-size: 12px;\">Adiabatic Compressor is generally used to provide energy to a vapor material stream. The energy supplied is in form of pressure.</div><div style=\"font-size: 12px;\"><br></div><span style=\"font-size: 12px;\">To simulate an adiabatic compressor, Efficiency of the compressor should be provided as calculation parameter. Additionally, one of the following variables must be defined:</span><div style=\"font-size: 12px;\"><ol><li>Outlet Pressure</li><li>Pressure Increase</li><li>Power Required</li></ol><div><br></div></div><div style=\"font-size: 12px;\">For example on simulating an adiabatic compressor, go to&nbsp;<i><b>Examples</b></i>&nbsp;&gt;&gt; <b><i>Compressor</i></b></div></body></html>"));
+    end AdiabaticCompressor;
diff --git a/src/main/Simulator/Simulator/UnitOperations/AdiabaticExpander.mo b/src/main/Simulator/Simulator/UnitOperations/AdiabaticExpander.mo
new file mode 100644
index 0000000..b5fdaf6
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/AdiabaticExpander.mo
@@ -0,0 +1,75 @@
+within Simulator.UnitOperations;
+
+model AdiabaticExpander "Model of an adiabatic expander to extract energy from a vapor stream in form of pressure"
+  //=====================================================================================
+  //Header Files and Parameters
+  extends Simulator.Files.Icons.AdiabaticExpander;
+  extends Simulator.Files.Models.Flash;
+  parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+  parameter Integer Nc "Number of components";
+  parameter Real Eff(unit = "-") "Expander efficiency";
+  //====================================================================================
+  //Model Variables
+  Real Fin(unit = "mol/s", min = 0, start = Fg) "Inlet stream molar flow rate";
+  Real Tin(unit = "K", min = 0, start = Tg) "Inlet stream temperature";
+  Real Hin(unit = "kJ/kmol",start=Htotg) "Inlet stream molar enthalpy";
+  Real xvapin(unit = "-", min = 0, max = 1, start = xvapg) "Inlet stream vapor phase mole fraction";
+  Real xin_c[Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Component mole fraction";
+  Real Sin(unit = "kJ/[kmol.K]") "Inlet stream molar entropy";
+  Real Pin(unit = "Pa", min = 0, start = Pg) "Inlet stream pressure";
+  Real Q(unit = "W") "Generated Power";
+  Real Pdel(unit = "Pa") "Pressure drop";
+  Real Tdel(unit = "K") "Temperature change";
+  Real Pout(unit = "Pa", min = 0, start = Pg) "Outlet stream pressure";
+  Real Fout(unit = "mol/s", min = 0, start = Fg) "Outlet stream molar flow rate";
+  Real Tout(unit = "K", min = 0, start = Tg) "Outlet stream temperature";
+  Real Hout(unit = "kJ/kmol") "Outlet stream molar enthalpy";
+  Real Sout(unit = "kJ/[kmol.k]") "Outlet stream molar entropy";
+  Real xvapout(unit = "-", min = 0, max = 1, start = xvapg) "Outlet stream vapor phase mole fraction";
+  //========================================================================================
+  //Instantiation of connectors
+  Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.enConn En annotation(
+    Placement(visible = true, transformation(origin = {0, -100}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {0, -66}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  extends GuessModels.InitialGuess;
+  
+equation
+//========================================================================================
+//connector equations
+  In.P = Pin;
+  In.T = Tin;
+  In.F = Fin;
+  In.H = Hin;
+  In.S = Sin;
+  In.x_pc[1, :] = xin_c[:];
+  In.xvap = xvapin;
+  Out.P = Pout;
+  Out.T = Tout;
+  Out.F = Fout;
+  Out.H = Hout;
+  Out.S = Sout;
+  Out.x_pc[1, :] = xin_c[:];
+  Out.xvap = xvapout;
+  En.Q = Q;
+//=============================================================================================
+//Material and Energy balance
+  Fin = Fout;
+  Hout = Hin + (H_p[1] - Hin) * Eff;
+  Q = Fin * (H_p[1] - Hin) * Eff;
+//=============================================================================================
+//Pressure and Temperature calculation
+  Pin - Pdel = Pout;
+  Tin - Tdel = Tout;
+//=========================================================================
+//Ideal flash
+  Fin = F_p[1];
+  Pout = P;
+  Sin = S_p[1];
+  xin_c[:] = x_pc[1, :];
+  annotation(
+    Documentation(info = "<html><head></head><body><div style=\"font-size: 12px;\">Adiabatic Expander is generally used to extract energy from a vapor material stream. The energy extracted is in form of pressure.</div><div style=\"font-size: 12px;\"><br></div><span style=\"font-size: 12px;\">To simulate an adiabatic expander, Efficiency of the expander should be provided as calculation parameter. Additionally, one of the following variables must be defined:</span><div style=\"font-size: 12px;\"><ol><li>Outlet Pressure</li><li>Pressure Drop</li><li>Power Required</li></ol><div><br></div></div><div style=\"font-size: 12px;\">For example on simulating an adiabatic expander, go to&nbsp;<i><b>Examples</b></i>&nbsp;&gt;&gt;&nbsp;<b><i>Expander</i></b></div></body></html>"));
+end AdiabaticExpander;
diff --git a/src/main/Simulator/Simulator/UnitOperations/CentrifugalPump.mo b/src/main/Simulator/Simulator/UnitOperations/CentrifugalPump.mo
new file mode 100644
index 0000000..6b5934b
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/CentrifugalPump.mo
@@ -0,0 +1,76 @@
+within Simulator.UnitOperations;
+
+model CentrifugalPump "Model of a centrifugal pump to provide energy to liquid stream in form of pressure"
+  //===========================================================================
+  //Header files and Parameters
+  extends Simulator.Files.Icons.CentrifugalPump;
+  parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+  parameter Integer Nc = 2 "Number of components";
+  parameter Real Eff(unit = "-") "Efficiency";
+  //===========================================================================
+  //Model Variables
+  Real Pin(unit = "Pa", min = 0, start = Pg) "Inlet stream pressure";
+  Real Tin(unit = "K", min = 0, start = Tg) "Inlet stream temperature";
+  Real Hin(unit = "kJ/kmol",start=Htotg) "Inlet stream molar enthalpy";
+  Real Fin(unit = "mol/s", min = 0, start = Fg) "Inlet stream molar flow";
+  Real xin_c[Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Inlet stream components molar fraction";
+  Real Tdel(unit = "K") "Temperature increase";
+  Real Pdel(unit = "K") "Pressure increase";
+  Real Q(unit = "W") "Power required";
+  Real rho_c[Nc](each unit = "kmol/m3", each min = 0) "Component molar density";
+  Real rho(unit = "kmol/m3", min = 0) "Density";
+  Real Pvap(unit = "Pa", min = 0, start = Pg) "Vapor pressure of mixture at Outlet temperature";
+  Real NPSH(unit = "m") "Net Positive Suction Head";
+  Real Pout(unit = "Pa", min = 0, start = Pg) "Outlet stream pressure";
+  Real Tout(unit = "K", min = 0, start = Tg) "Outlet stream temperature";
+  Real Hout(unit = "kJ/kmol",start=Htotg) "Outlet stream molar enthalpy";
+  Real Fout(unit = "mol/s", min = 0, start = Fg) "Outlet stream molar flow";
+  Real xout_c[Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Outlet stream molar fraction";
+  //============================================================================
+  //Instantiation of Connectors
+  Simulator.Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, -2}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 16}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {102, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 100}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.enConn En annotation(
+    Placement(visible = true, transformation(origin = {2, -100}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {0, -70}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+
+  extends GuessModels.InitialGuess;
+equation
+//============================================================================
+//Connector equation
+  In.P = Pin;
+  In.T = Tin;
+  In.F = Fin;
+  In.H = Hin;
+  In.x_pc[1, :] = xin_c[:];
+  Out.P = Pout;
+  Out.T = Tout;
+  Out.F = Fout;
+  Out.H = Hout;
+  Out.x_pc[1, :] = xout_c[:];
+  En.Q = Q;
+//=============================================================================
+//Pump equations
+  Fin = Fout;
+  xin_c = xout_c;
+  Pin + Pdel = Pout;
+  Tin + Tdel = Tout;
+//=============================================================================
+//Calculation of Density
+  for i in 1:Nc loop
+    rho_c[i] = Simulator.Files.ThermodynamicFunctions.Dens(C[i].LiqDen, C[i].Tc, Tin, Pin);
+  end for;
+  rho = 1 / sum(xin_c ./ rho_c);
+//==============================================================================
+//Energy Balance and NPSH Calculation
+  Hout = Hin + Pdel / rho;
+  Q = Fin * (Hout - Hin) / Eff;
+  NPSH = (Pin - Pvap) / rho;
+//===============================================================================
+//Vapor Pressure of mixture at Outlet Temperature
+  Pvap = sum(xin_c .* exp(C[:].VP[2] + C[:].VP[3] / Tout + C[:].VP[4] * log(Tout) + C[:].VP[5] .* Tout .^ C[:].VP[6]));
+  annotation(
+    Documentation(info = "<html><head></head><body><div>Centrifugal pump is generally used to provide energy to a liquid material stream. The energy supplied is in form of pressure.</div><div><br></div>To simulate a centrifugal pump, Efficiency of the pump should be provided as calculation parameter. Additional one of the following input variables must be defined:<div><ol><li>Outlet Pressure</li><li>Pressure Increase</li><li>Power Required</li></ol><div><br></div></div><div>For example on simulating a centrifual pum, go to <i><b>Examples</b></i> &gt;&gt; <i><b>Pump</b></i></div></body></html>"));
+    
+end CentrifugalPump;
diff --git a/src/main/Simulator/Simulator/UnitOperations/CompoundSeparator.mo b/src/main/Simulator/Simulator/UnitOperations/CompoundSeparator.mo
new file mode 100644
index 0000000..577551a
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/CompoundSeparator.mo
@@ -0,0 +1,93 @@
+within Simulator.UnitOperations;
+
+model CompoundSeparator
+  extends Simulator.Files.Icons.CompoundSeparator;
+    parameter Integer Nc "Number of components";
+   parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] "Components array";
+    parameter Integer SepStrm "Specified Stream";
+
+  Real Pin(min = 0, start = Pg) "inlet pressure";
+  Real Tin(min = 0, start = Tg) "inlet temperature";
+  Real xin_c[Nc](each min = 0, each max = 1, start=xguess) "inlet mixture mole fraction";
+  Real Fin(min = 0, start = 100) "inlet mixture molar flow";
+  Real Fin_c[Nc](each min = 0, each start = Fg) "inlet compound molar flow";
+  Real Fmin_c[Nc](each min = 0, each start =Fg) "inlet compound mass flow";
+  Real Hin(start=Htotg) "inlet mixture molar enthalpy";
+  
+  Real Q "energy required";
+  Real SepVal_c[Nc] "Separation factor value";
+ 
+  Real Pout_s[2](each min = 0, start={Pg,Pg}) "outlet Pressure";
+  Real Tout_s[2](each min = 0, start={Tg,Tg}) "outlet temperature";
+  Real xout_sc[2, Nc](each min = 0, each max = 1, start={xg,xg}) "outlet mixture mole fraction";
+  Real Fout_s[2](each min = 0,  start = {Fg,Fg}) "Outlet mixture molar flow";
+  Real Fout_sc[2, Nc](each min = 0,  start = {Fg,Fg}) "outlet compounds molar flow";
+  Real Fmout_sc[2, Nc](each min = 0, start={Fg,Fg}) "outlet compound mass flow";
+  Real Hout_s[2](start={Hvapg,Hliqg}) "outlet mixture molar enthalpy";
+ 
+  parameter String SepFact_c[Nc] "Separation factor";
+  // separation factor: Molar_Flow, Mass_Flow, Inlet_Molar_Flow_Percent, Inlet_Mass_Flow_Percent.
+  Simulator.Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out1(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 70}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 80}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.enConn En annotation(
+    Placement(visible = true, transformation(origin = {0, -100}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {0, -130}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out2(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, -70}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, -80}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  extends GuessModels.InitialGuess;
+  
+equation
+// Connector equation
+  In.P = Pin;
+  In.T = Tin;
+  In.F  = Fin;
+  In.x_pc[1, :] = xin_c[:];
+  In.H = Hin;
+  Out1.P = Pout_s[1];
+  Out1.T = Tout_s[1];
+  Out1.F = Fout_s[1];
+  Out1.x_pc[1, :] = xout_sc[1, :];
+  Out1.H = Hout_s[1];
+  Out2.F = Fout_s[2];
+  Out2.x_pc[1, :] = xout_sc[2, :];
+  Out2.H = Hout_s[2];
+  Out2.P = Pout_s[2];
+  Out2.T = Tout_s[2];
+  En.Q = Q;
+// Pressure and temperature equations
+  Pout_s[1] = Pin;
+  Pout_s[2] = Pin;
+  Tout_s[1] = Tin;
+  Tout_s[2] = Tin;
+// mole balance
+  Fin = sum(Fout_s[:]);
+  Fin_c[:] = xout_sc[1, :] * Fout_s[1] + xout_sc[2, :] * Fout_s[2];
+// Conversion
+  Fin_c = xin_c .* Fin;
+  Fmin_c = Fin_c .* C[:].MW;
+  for i in 1:2 loop
+    Fout_sc[i, :] = xout_sc[i, :] .* Fout_s[i];
+    Fmout_sc[i, :] = Fout_sc[i, :] .* C[:].MW;
+  end for;
+  sum(xout_sc[2, :]) = 1;
+  for i in 1:Nc loop
+    if SepFact_c[i] == "Molar_Flow" then
+      SepVal_c[i] = Fout_sc[SepStrm, i];
+    elseif SepFact_c[i] == "Mass_Flow" then
+      SepVal_c[i] = Fmout_sc[SepStrm, i];
+    elseif SepFact_c[i] == "Inlet_Molar_Flow_Percent" then
+      Fout_sc[SepStrm, i] = SepVal_c[i] * Fin_c[i] / 100;
+    elseif SepFact_c[i] == "Inlet_Mass_Flow_Percent" then
+      Fmout_sc[SepStrm, i] = SepVal_c[i] * Fmin_c[i] / 100;
+    end if;
+  end for;
+//Energy balance
+  Q = sum(Hout_s .* Fout_s) - Fin * Hin;
+
+annotation(
+    Icon(coordinateSystem(extent = {{-100, -200}, {100, 200}})),
+    Diagram(coordinateSystem(extent = {{-100, -200}, {100, 200}})),
+    __OpenModelica_commandLineOptions = "");
+  end CompoundSeparator;
diff --git a/src/main/Simulator/Simulator/UnitOperations/ConversionReactor.mo b/src/main/Simulator/Simulator/UnitOperations/ConversionReactor.mo
new file mode 100644
index 0000000..78a18a9
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/ConversionReactor.mo
@@ -0,0 +1,88 @@
+within Simulator.UnitOperations;
+
+model ConversionReactor "Model of a conversion reactor to calculate the outlet stream mole fraction of components"
+
+//=============================================================================
+  //Header Files and Parameters
+  extends Simulator.Files.Icons.ConversionReactor;
+   parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+   parameter Integer Nc "Number of components";
+   parameter String CalcMode = "Isothermal" "Required mode of operation: Isothermal, Define_Out_Temperature, Adiabatic";
+  parameter Real Tdef(unit = "K") = 300 "Defined outlet temperature, applicable if Define_Out_Temperature mode is chosen";
+  parameter Real Pdel(unit = "Pa") = 0 "Pressure drop";
+  parameter Real X_r[Nr] = fill(0.4, Nr) "Conversion of base component";
+ //=============================================================================
+  //Model Variables
+  Real Fin(unit = "mol/s", min = 0, start = Fg) "Inlet stream molar flow rate";
+  Real Hin(unit = "kJ/kmol",start=Htotg) "Inlet stream molar enthalpy"; 
+  Real Pin(unit = "Pa", min = 0, start = Pg) "Inlet stream pressure"; 
+  Real Tin(unit = "K", min = 0, start = Tg) "Inlet stream temperature";
+  Real xin_c[Nc](each unit = "K", each min = 0, each max = 1, start=xg) "Inlet stream component mole fraction"; 
+ 
+  Real Fout(unit = "mol/s", min = 0, start = Fg) "Outlet stream molar flow rate";   
+  Real Hout(unit = "kJ/kmol",start=Htotg) "Outlet stream molar enthalpy";
+  Real xout_c[Nc](each unit = "=", each min = 0, each max = 1, start=xg) "Outlet stream component mole fraction";  
+  Real Pout(unit = "Pa", min = 0, start =Pg) "Outlet stream pressure";
+  Real Tout(unit = "K", min = 0, start = Tg) "Outlet stream temperature";
+  Real Fout_cr[Nc, Nr](each unit = "mol/s") "Molar flor rate of components after each reaction";
+ //=============================================================================
+  //Instanstiation of Connectors
+  Simulator.Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.enConn energy annotation(
+    Placement(visible = true, transformation(origin = {0, -98}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {0, -130}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  extends GuessModels.InitialGuess;
+equation
+//=============================================================================
+//Connector Equations
+  In.P = Pin;
+  In.T = Tin;
+  In.F = Fin;
+  In.H = Hin;
+  In.x_pc[1, :] = xin_c[:];
+  Out.P = Pout;
+  Out.T = Tout;
+  Out.F = Fout;
+  Out.H = Hout;
+  Out.x_pc[1, :] = xout_c[:];
+//=============================================================================
+//Mole Balance
+  for i in 1:Nc loop
+    Fout_cr[i, 1] = Fin * xin_c[i] - Coef_cr[i, 1] / Coef_cr[BC_r[1], 1] * Fin * xin_c[BC_r[1]] * X_r[1];
+  end for;
+  if Nr > 1 then
+    for j in 2:Nr loop
+      for i in 1:Nc loop
+        Fout_cr[i, j] = Fout_cr[i, j - 1] - Coef_cr[i, j] / Coef_cr[BC_r[j], j] * Fin * xin_c[BC_r[j]] * X_r[j];
+      end for;
+    end for;
+  end if;
+  Fout = sum(Fout_cr[:, Nr]);
+  for i in 1:Nc loop
+    xout_c[i] = Fout_cr[i, Nr] / Fout;
+  end for;
+//=============================================================================
+//Outlet Pressure
+  Pin - Pdel = Pout;
+//=============================================================================
+//Energy Balance
+  if CalcMode == "Isothermal" then
+    Tin = Tout;
+    energy.Q = Hout * Fout - Hin * Fin + sum(Hr_r .* Fin .* xin_c[BC_r] .* X_r);
+  elseif CalcMode == "Adiabatic" then
+    Hout * Fout + sum(Hr_r .* Fin .* xin_c[BC_r] .* X_r) = Hin * Fin;
+    energy.Q = 0;
+  elseif CalcMode == "Define_Outlet_Temperature" then
+    Tout = Tdef;
+    energy.Q = Hout * Fout - Hin * Fin + sum(Hr_r .* Fin .* xin_c[BC_r] .* X_r);
+  end if;
+
+annotation(
+    Icon(coordinateSystem(extent = {{-100, -200}, {100, 200}}, initialScale = 0.1)),
+    Diagram(coordinateSystem(extent = {{-100, -200}, {100, 200}}, initialScale = 0.1)),
+    __OpenModelica_commandLineOptions = "",
+ Documentation(info = "<html><head></head><body><div>Conversion Reactor is used to calculate the mole fraction of components at outlet stream when the conversion of base component for the reaction is defined.</div><div><br></div>To simulate a convension reactor, following calculation parameters must be provided:<div><ol><li>Calculation Mode</li><li>Outlet Temperature (If calculation mode is Define_Out_Temperature\"</li><li>Number of Reactions</li><li>Base Component</li><li>Stoichiometric Coefficient of Components in Reaction</li><li>Conversion of Base Component</li><li>Pressure Drop</li></ol><div><br></div></div><div><span style=\"font-size: 12px;\">For example on simulating a conversion reactor, go to&nbsp;</span><i style=\"font-size: 12px;\"><b>Examples</b></i><span style=\"font-size: 12px;\">&nbsp;&gt;&gt;<i style=\"font-weight: bold;\">&nbsp;CR&nbsp;</i>&gt;&gt; <b><i>test</i></b></span></div><div><br></div></body></html>"));
+ end ConversionReactor;
diff --git a/src/main/Simulator/Simulator/UnitOperations/Cooler.mo b/src/main/Simulator/Simulator/UnitOperations/Cooler.mo
new file mode 100644
index 0000000..945f38d
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/Cooler.mo
@@ -0,0 +1,70 @@
+within Simulator.UnitOperations;
+
+model Cooler "Model of a cooler to heat a material stream"
+  extends Simulator.Files.Icons.Cooler; 
+  
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+    parameter Integer Nc "number of components";
+  //====================================================================================
+  Real Fin(unit = "mol/s", min = 0, start = Fg) "Inlet stream molar flow rate";
+  Real Pin(unit = "Pa", min = 0, start =Pg) "Inlet stream pressure";
+  Real Tin(unit = "K", min = 0, start = Tg) "Inlet stream temperature";
+  Real Hin(unit = "kJ/kmol") "Inlet stream molar enthalpy";
+  Real Sin(unit = "kJ/[kmol.K]") "Inlet stream molar entropy";
+  Real xvapin(unit = "-", min = 0, max = 1, start = xvapg) "Inlet stream vapor phase mole fraction";
+  
+  Real Q(unit = "W") "Heat removed";
+  Real Tdel(unit = "K") "Temperature drop";
+   
+  Real Fout(unit = "mol/s", min = 0, start = Fg) "Outlet stream molar flow rate";
+  Real Pout(unit = "Pa", min = 0, start = Pg) "Outlet stream pressure";
+  Real Tout(unit = "K", min = 0, start = Tg) "Outlet stream temperature";
+  Real xvapout(unit = "-", min = 0, max = 1, start = xvapg) "Outlet stream vapor phase mole fraction";
+  Real Hout(unit = "kJ/kmol") "Outlet stream molar enthalpy";
+  Real Sout(unit = "kJ/[kmol.K]") "Outlet stream molar entropy"; 
+  Real x_c[Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Component mole fraction";
+  //========================================================================================
+  parameter Real Pdel(unit = "Pa") "Pressure drop";
+  parameter Real Eff(unit = "-") "Efficiency";
+
+  //========================================================================================
+  Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.enConn En annotation(
+    Placement(visible = true, transformation(origin = {0, -100}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, -100}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  //========================================================================================
+  
+  extends GuessModels.InitialGuess;
+  
+equation
+//connector equations
+  In.P = Pin;
+  In.T = Tin;
+  In.F = Fin;
+  In.H = Hin;
+  In.S = Sin;
+  In.x_pc[1, :] = x_c[:];
+  In.xvap = xvapin;
+  Out.P = Pout;
+  Out.T = Tout;
+  Out.F = Fout;
+  Out.H = Hout;
+  Out.S = Sout;
+  Out.x_pc[1, :] = x_c[:];
+  Out.xvap = xvapout;
+  En.Q = Q;
+//=============================================================================================
+  Fin = Fout;
+//material balance
+  Hin - Eff * Q / Fin = Hout;
+//energy balance
+  Pin - Pdel = Pout;
+//pressure calculation
+  Tin - Tdel = Tout;
+//temperature calculation
+annotation(
+    Documentation(info = "<html><head></head><body><span style=\"font-size: 12px;\">The cooler is used to simulate the cooling process of a material stream.</span><div style=\"font-size: 12px;\"><br></div><div style=\"font-size: 12px;\">Following calculation parameters must be provided to the cooler:</div><div style=\"font-size: 12px;\"><ol><li>Pressure Drop</li><li>Efficiency</li></ol><div>In addition to the above parameters, any one additional variable from the below list must be provided for the model to simulate successfully:</div><div><ol><li>Outlet Temperature (Tout)</li><li>Temperature Drop (Tdel)</li><li>Heat Removed (Q)</li><li>Outlet Stream Vapor Phase Mole Fraction (xvapout)</li></ol><div><br></div></div><div>For example on simulating a cooler, go to <b><i>Examples</i></b> &gt;&gt; <i><b>Cooler</b></i></div></div></body></html>"));
+    
+    end Cooler;
diff --git a/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/Cond.mo b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/Cond.mo
new file mode 100644
index 0000000..29fc163
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/Cond.mo
@@ -0,0 +1,109 @@
+within Simulator.UnitOperations.DistillationColumn;
+
+  model Cond "Model of a condenser used in distillation column"
+    import Simulator.Files.*;
+    parameter ChemsepDatabase.GeneralProperties C[Nc];
+    parameter Integer Nc = 2 "Number of components";
+    parameter Boolean Bin = false;
+    Real P(unit = "K", min = 0, start = Pg) "Pressure";
+    Real T(unit = "Pa", min = 0, start = Tg) "Temperature";
+    Real Fin(unit = "mol/s", min = 0, start =Fg) "Feed molar flow rate";
+    Real xin_c[Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Feed components mole fraction"; 
+    Real xvapin_c[Nc](each unit = "-", each min = 0, each max = 1, start=xvapg) "Inlet components vapor molar fraction"; 
+    Real Hin(unit = "kJ/kmol",start=Htotg) "Feed inlet molar enthalpy";
+   
+    Real Fout(unit = "mol/s", min = 0, start = Fg) "Side draw molar flow";
+    Real Fvapin(unit = "mol/s", min = 0, start = Fg) "Inlet vapor molar flow";
+    Real Fliqout(unit = "mol/s", min = 0, start = Fg) "Outlet liquid molar flow";
+    Real xout_c[Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Side draw components mole fraction";
+    Real xliqout_c[Nc](each unit = "-", each min = 0, each max = 1, start=xliqg) "Outlet components liquid mole fraction";
+    
+    Real Hvapin(unit = "kJ/kmol",start=Hvapg) "Inlet vapor molar enthalpy";
+    Real Hliqout(unit = "kJ/kmol",start=Hliqg) "Outlet liquid molar enthalpy";
+    Real Q(unit = "W") "Heat load";
+    Real Hout(unit = "kJ/kmol",start=Htotg) "Side draw molar enthalpy";
+    Real Hliqout_c[Nc](each unit = "kJ/kmol") "Outlet liquid components molar enthalpy";
+    Real x_pc[3, Nc](each unit = "-", each min = 0, each max = 1,start={xguess,xguess,xguess}) "Component mole fraction";
+    Real Pdew(unit = "Pa", min = 0, start = Pmax) "Dew point pressure";
+    Real Pbubl(unit = "Pa", min = 0,start=Pmin) "Bubble point pressure";
+    
+    //String sideDrawType(start = "Null");
+    //L or V
+    parameter String Ctype "Condenser type: Partial or Total";
+    replaceable Simulator.Files.Interfaces.matConn In(Nc = Nc) if Bin annotation(
+      Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn In_Dmy(Nc = Nc, P = 0, T = 0, x_pc = zeros(3, Nc), F = 0, H = 0, S = 0, xvap = 0) if not Bin annotation(
+      Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn Out_Liq(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn In_Vap(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.enConn En annotation(
+      Placement(visible = true, transformation(origin = {100, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    
+    extends GuessModels.InitialGuess;
+    
+  equation
+//connector equation
+    if Bin then
+      In.x_pc[1, :] = xin_c[:];
+      In.H = Hin;
+      In.F = Fin;
+    else
+      In_Dmy.x_pc[1, :] = xin_c[:];
+      In_Dmy.H = Hin;
+      In_Dmy.F = Fin;
+    end if;
+    
+    Out.P = P;
+    Out.T = T;
+    Out.x_pc[1, :] = xout_c[:];
+    Out.F = Fout;
+    Out.H = Hout;
+    Out_Liq.F = Fliqout;
+    Out_Liq.H = Hliqout;
+    Out_Liq.x_c[:] = xliqout_c[:];
+    In_Vap.F = Fvapin;
+    In_Vap.H = Hvapin;
+    In_Vap.x_c[:] = xvapin_c[:];
+    En.Q = Q;
+//Adjustment for thermodynamic packages
+    x_pc[1, :] = (Fout .* xout_c[:] + Fliqout .* xliqout_c[:]) ./ (Fout + Fliqout);
+    x_pc[2, :] = xliqout_c[:];
+    x_pc[3, :] = K_c[:] .* x_pc[2, :];
+//Bubble point calculation
+    Pbubl = sum(gmabubl_c[:] .* x_pc[1, :] .* Pvap_c[:] ./ philiqbubl_c[:]);
+//Dew point calculation
+    Pdew = 1 / sum(x_pc[1, :] ./ (gmadew_c[:] .* Pvap_c[:]) .* phivapdew_c[:]);
+//molar balance
+//Fin + Fvapin = Fout + Fliqout;
+    Fin .* xin_c[:] + Fvapin .* xvapin_c[:] = Fout .* xout_c[:] + Fliqout .* xliqout_c[:];
+//equillibrium
+    if Ctype == "Partial" then
+      xout_c[:] = K_c[:] .* xliqout_c[:];
+    elseif Ctype == "Total" then
+      xout_c[:] = xliqout_c[:];
+    end if;
+//summation equation
+//  sum(xliqout_c[:]) = 1;
+    sum(xout_c[:]) = 1;
+// Enthalpy balance
+    Fin * Hin + Fvapin * Hvapin = Fout * Hout + Fliqout * Hliqout + Q;
+//Temperature calculation
+    if Ctype == "Total" then
+      P = sum(xout_c[:] .* Pvap_c[:]);
+    elseif Ctype == "Partial" then
+      1 / P = sum(xout_c[:] ./ Pvap_c[:]);
+    end if;
+// outlet liquid molar enthalpy calculation
+    for i in 1:Nc loop
+      Hliqout_c[i] = Simulator.Files.ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+    end for;
+    Hliqout = sum(xliqout_c[:] .* Hliqout_c[:]) + Hres_p[2];
+    annotation(
+      Diagram(coordinateSystem(extent = {{-100, -40}, {100, 40}})),
+      Icon(coordinateSystem(extent = {{-100, -40}, {100, 40}})),
+      __OpenModelica_commandLineOptions = "");
+  end Cond;
diff --git a/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/DistCol.mo b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/DistCol.mo
new file mode 100644
index 0000000..64e1cc9
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/DistCol.mo
@@ -0,0 +1,79 @@
+within Simulator.UnitOperations.DistillationColumn;
+
+  model DistCol
+    extends Simulator.Files.Icons.DistillationColumn;
+    parameter Integer Nc "Number of components";
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+    import data = Simulator.Files.ChemsepDatabase;
+    parameter Boolean Bin_t[Nt] = Simulator.Files.OtherFunctions.colBoolCalc(Nt, Ni, InT_s);
+    parameter Integer Nt = 4 "Number of stages";
+    parameter Integer Nout = 0 "Number of side draws";
+    parameter Integer NQ = 0 "Number of heat load";
+    parameter Integer Ni = 1 "Number of feed streams";
+    parameter Integer InT_s[Ni] "Feed stage location";
+    parameter String Ctype = "Total" "Condenser type: Total or Partial";
+
+    Real RR(min = 0);
+    Simulator.Files.Interfaces.matConn In_s[Ni](each Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-248, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-250, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn Dist(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {250, 316}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {250, 298}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn Bot(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {250, -296}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {252, -300}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.enConn Cduty annotation(
+      Placement(visible = true, transformation(origin = {246, 590}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {250, 600}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.enConn Rduty annotation(
+      Placement(visible = true, transformation(origin = {252, -588}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {250, -598}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn Out_s[Nout](each Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-36, 32}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-70, 60}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.enConn En[NQ] annotation(
+      Placement(visible = true, transformation(origin = {-34, -54}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-70, -60}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  equation
+  for i in 1:Ni loop
+      if InT_s[i] == 1 then
+        connect(In_s[i], condenser.In);
+      elseif InT_s[i] == Nt then
+        connect(In_s[i], reboiler.In);
+      elseif InT_s[i] > 1 and InT_s[i] < Nt then
+//this is adjustment done since OpenModelica 1.11 is not handling array modification properly
+        In_s[i].P = tray[InT_s[i] - 1].Pdmy1;
+        In_s[i].T = tray[InT_s[i] - 1].Tdmy1;
+        In_s[i].F = tray[InT_s[i] - 1].Fdmy1;
+        In_s[i].x_pc = tray[InT_s[i] - 1].xdmy1_pc;
+        In_s[i].H = tray[InT_s[i] - 1].Hdmy1;
+        In_s[i].S = tray[InT_s[i] - 1].Sdmy1;
+        In_s[i].xvap = tray[InT_s[i] - 1].xvapdmy1;
+      end if;
+    end for;
+    connect(condenser.Out, Dist);
+    connect(reboiler.Out, Bot);
+    connect(condenser.En, Cduty);
+    connect(reboiler.En, Rduty);
+    for i in 1:Nt - 3 loop
+      connect(tray[i].Out_Liq, tray[i + 1].In_Liq);
+      connect(tray[i].In_Vap, tray[i + 1].Out_Vap);
+    end for;
+    connect(tray[1].Out_Vap, condenser.In_Vap);
+    connect(condenser.Out_Liq, tray[1].In_Liq);
+    connect(tray[Nt - 2].Out_Liq, reboiler.In_Liq);
+    connect(reboiler.Out_Vap, tray[Nt - 2].In_Vap);
+//tray pressures
+    for i in 1:Nt - 2 loop
+      tray[i].P = condenser.P + i * (reboiler.P - condenser.P) / (Nt - 1);
+    end for;
+    
+    for i in 2:Nt - 1 loop
+      tray[i - 1].OutType = "Null";
+      tray[i - 1].Out.x_pc = zeros(3, Nc);
+      tray[i - 1].Out.F = 0;
+      tray[i - 1].Out.H = 0;
+      tray[i - 1].Out.S = 0;
+      tray[i - 1].Out.xvap = 0;
+      tray[i - 1].Q = 0;
+    end for;
+    RR = condenser.Fliqout / condenser.Out.F;
+  annotation(
+      Icon(coordinateSystem(extent = {{-250, -600}, {250, 600}})),
+      Diagram(coordinateSystem(extent = {{-250, -600}, {250, 600}})),
+      __OpenModelica_commandLineOptions = "");
+  end DistCol;
diff --git a/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/DistTray.mo b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/DistTray.mo
new file mode 100644
index 0000000..f308a73
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/DistTray.mo
@@ -0,0 +1,137 @@
+within Simulator.UnitOperations.DistillationColumn;
+
+  model DistTray "Model of a tray used in distillation column"
+    import Simulator.Files.*;
+    parameter ChemsepDatabase.GeneralProperties C[Nc];
+    parameter Integer Nc = 2 "Number of components";
+    parameter Boolean Bin = true;
+    Real P(unit = "Pa", min = 0, start = Pg) "Pressure";
+    Real T(unit = "K", min = 0, start = Tg) "Temperature";
+    Real Fin(unit = "mol/s", min = 0, start = Fg) "Feed molar flow";
+    Real xin_c[Nc](each unit = "-", each min = 0, each max = 1,start=xg) "Feed components mole fraction"; 
+    Real Hin(unit = "kJ/kmol",start=Htotg) "Feed molar enthalpy"; 
+    
+    Real Fout(unit = "mol/s", min = 0, start = Fg) "Sidedraw molar flow";
+    Real Fvap_s[2](each unit = "mol/s", each min = 0,start={Fg,Fg}) "Vapor molar flow";
+    Real Fliq_s[2](each unit = "mol/s", each min = 0,start={Fg,Fg}) "Liquid molar flow";  
+    Real xout_c[Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Components mole fraction at sidedraw";
+    Real xvap_sc[2, Nc](each unit = "-", each min = 0, each max = 1, start=yg) "Components vapor mole fraction";
+    Real xliq_sc[2, Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Components liquid mole fraction";
+ 
+    Real Hvap_s[2](unit = "kJ/kmol",start=Hvapg) "Vapor molar enthalpy";
+    Real Hliq_s[2](unit = "kJ/kmol",start=Hliqg) "Liquid molar enthalpy";
+    Real Q(unit = "W") "Heat load";
+    Real Hout(unit = "kJ/kmol",start=Htotg) "Side draw molar enthalpy";
+    Real Hvapout_c[Nc](unit = "kJ/kmol",start=Hvapg) "Outlet components vapor molar enthalpy";
+    Real Hliqout_c[Nc](unit = "kJ/kmol",start=Hliqg) "Outlet components liquid molar enthalpy";
+    Real x_pc[3, Nc](each min =0, each max = 0,start={xguess,xguess,xguess});
+    
+    Real Pdew(unit = "Pa", min = 0, start = Pmax) "Dew pressure";
+    Real Pbubl(unit = "Pa", min = 0, start = Pmin) "Bubble pressure";
+    Real Pdmy1, Tdmy1, xdmy1_pc[3,Nc], Fdmy1,Hdmy1, Sdmy1, xvapdmy1;
+  //this is adjustment done since OpenModelica 1.11 is not handling array modification properly
+    String OutType(start = "Null");
+    //L or V
+    replaceable Simulator.Files.Interfaces.matConn In(Nc = Nc) if Bin annotation(
+      Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    replaceable Simulator.Files.Interfaces.matConn In_Dmy(Nc = Nc, P = 0, T = 0, F = 0, x_pc = zeros(3, Nc), H = 0, S = 0, xvap = 0) if not Bin annotation(
+      Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn In_Liq(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn Out_Liq(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn Out_Vap(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn In_Vap(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {50, -40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.enConn En annotation(
+      Placement(visible = true, transformation(origin = {100, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  extends GuessModels.InitialGuess;
+  
+  equation
+//connector equation
+    if Bin then
+      In.P = Pdmy1;
+//this is adjustment done since OpenModelica 1.11 is not handling array modification properly
+      In.T = Tdmy1;
+      In.x_pc = xdmy1_pc;
+      In.F = Fdmy1;
+      In.H = Hdmy1;
+      In.S = Sdmy1;
+      In.xvap = xvapdmy1;
+    else
+      In_Dmy.P = Pdmy1;
+      In_Dmy.T = Tdmy1;
+      In_Dmy.x_pc = xdmy1_pc;
+      In_Dmy.F = Fdmy1;
+      In_Dmy.H = Hdmy1;
+      In_Dmy.S = Sdmy1;
+      In_Dmy.xvap = xvapdmy1;
+    end if;
+//this is adjustment done since OpenModelica 1.11 is not handling array modification properly
+    xdmy1_pc[1, :] = xin_c[:];
+    Hdmy1 = Hin;
+    Fdmy1 = Fin;
+    
+    Out.P = P;
+    Out.T = T;
+    Out.F = Fout;
+    Out.H = Hout;
+    In_Liq.F = Fliq_s[1];
+    In_Liq.H = Hliq_s[1];
+    In_Liq.x_c[:] = xliq_sc[1, :];
+    Out_Liq.F = Fliq_s[2];
+    Out_Liq.H = Hliq_s[2];
+    Out_Liq.x_c[:] = xliq_sc[2, :];
+    In_Vap.F = Fvap_s[1];
+    In_Vap.H = Hvap_s[1];
+    In_Vap.x_c[:] = xvap_sc[1, :];
+    Out_Vap.F = Fvap_s[2];
+    Out_Vap.H = Hvap_s[2];
+    Out_Vap.x_c[:] = xvap_sc[2, :];
+    En.Q = Q;
+//Adjustment for thermodynamic packages
+    x_pc[1, :] = (Fout .* xout_c[:] + Fvap_s[2] .* xvap_sc[2, :] + Fliq_s[2] .* xliq_sc[2, :]) / (Fliq_s[2] + Fvap_s[2] + Fout);
+   x_pc[2, :] = xliq_sc[2,:];
+   x_pc[3, :] = xvap_sc[2,:];
+//Bubble point calculation
+    Pbubl = sum(gmabubl_c[:] .* x_pc[1, :] .* Pvap_c[:] ./ philiqbubl_c[:]);
+//Dew point calculation
+    Pdew = 1 / sum(x_pc[1, :] ./ (gmadew_c[:] .* Pvap_c[:]) .* phivapdew_c[:]);
+//molar balance
+//Fin + Fvap_s[1] + Fliq_s[1] = Fout + Fvap_s[2] + Fliq_s[2];
+    Fin .* xin_c[:] + Fvap_s[1] .* xvap_sc[1, :] + Fliq_s[1] .* xliq_sc[1, :] = Fout .* xout_c[:] + Fvap_s[2] .* xvap_sc[2, :] + Fliq_s[2] .* xliq_sc[2, :];
+//equillibrium
+    xvap_sc[2, :] = K_c[:] .* xliq_sc[2, :];
+//raschford rice
+//    xliq_sc[2,:] = ((Fin .* xin_c[:] + Fvap_s[1] .* xvap_sc[1, :] + Fliq_s[1] .* xliq_sc[1, :])./(Fin + Fvap_s[1] + Fliq_s[1])) ./(1 .+ (Fvap_s[2]/ (Fvap_s[2] + Fliq_s[2])) * (K[:] .- 1));
+//  for i in 1:Nc loop
+//    xvap_sc[2,i] = ((K[i]/(K[1])) * xliq_sc[2,i]) / (1 + (K[i] / (K[1])) * xliq_sc[2,i]);
+//  end for;
+//summation equation
+    sum(xliq_sc[2, :]) = 1;
+    sum(xvap_sc[2, :]) = 1;
+// Enthalpy balance
+    Fin * Hin + Fvap_s[1] * Hvap_s[1] + Fliq_s[1] * Hliq_s[1] = Fout * Hout + Fvap_s[2] * Hvap_s[2] + Fliq_s[2] * Hliq_s[2] + Q;
+//enthalpy calculation
+    for i in 1:Nc loop
+      Hliqout_c[i] = ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+      Hvapout_c[i] = ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+    end for;
+    Hliq_s[2] = sum(xliq_sc[2, :] .* Hliqout_c[:]) + Hres_p[2];
+    Hvap_s[2] = sum(xvap_sc[2, :] .* Hvapout_c[:]) + Hres_p[3];
+//sidedraw calculation
+    if OutType == "L" then
+      xout_c[:] = xliq_sc[2, :];
+    elseif OutType == "V" then
+      xout_c[:] = xvap_sc[2, :];
+    else
+      xout_c[:] = zeros(Nc);
+    end if;
+    annotation(
+      Diagram(coordinateSystem(extent = {{-100, -40}, {100, 40}})),
+      Icon(coordinateSystem(extent = {{-100, -40}, {100, 40}})),
+      __OpenModelica_commandLineOptions = "");
+  end DistTray;
diff --git a/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/Reb.mo b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/Reb.mo
new file mode 100644
index 0000000..21383aa
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/Reb.mo
@@ -0,0 +1,98 @@
+within Simulator.UnitOperations.DistillationColumn;
+
+  model Reb "Model of a reboiler used in distillation column"
+    import Simulator.Files.*;
+    parameter Integer Nc = 2 "Number of components";
+    parameter ChemsepDatabase.GeneralProperties C[Nc];
+    parameter Boolean Bin = false;
+    Real P(unit = "Pa", min = 0, start = Pg) "Pressure";
+    Real T(unit = "K", min = 0, start = Tg) "Temperature";
+    Real Fin(unit = "mol/s", min = 0, start = Fg) "Feed molar flow";
+    Real Hin(unit = "kJ/kmol",start=Htotg) "Feed molar enthalpy";
+    Real Hliqin(unit = "kJ/kmol",start=Hliqg) "Inlet liquid molar enthalpy";
+    Real xin_c[Nc](each unit = "-", each min = 0, each max = 1, start=xguess) "Feed components mole fraction"; 
+    Real Fliqin(unit = "mol/s", min = 0, start =Fg) "Inlet liquid molar flow";
+    Real xliqin_c[Nc](each unit = "-", each min = 0, each max = 1,start=xg) "Inlet liquid component mole fraction";
+   
+    Real Fout(unit = "mol/s", min = 0, start = Fg) "Side draw molar flow";
+    Real Fvapout(unit = "mol/s", min = 0, start =Fvapg) "Outlet vapor molar flow";
+    Real xout_c[Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Side draw mole fraction";
+    Real xvapout_c[Nc](each unit = "-", each min = 0, each max = 1, start=xvapg) "Outlet vapor component mole fraction";
+    Real Hvapout(unit = "kJ/kmol",start=Hvapg) "Outlet vapor molar enthalpy";
+    Real Hvapout_c[Nc](each unit = "kJ/kmol") "Outlet vapor component molar enthalpy";
+    Real Q(unit = "W") "Heat load";
+    Real Hout(unit = "kJ/kmol") "Side draw molar enthalpy";
+    Real x_pc[3, Nc](each unit = "-", each min = 0, each max = 1, each start = 1/(Nc + 1)) "Component mole fraction";
+    Real Pdew(unit = "Pa", min = 0, start = sum(C[:].Pc)/Nc) "Dew point pressure";
+    Real Pbubl(unit = "Pa", min = 0, start = sum(C[:].Pc)/Nc) "Bubble point pressure";
+   
+    replaceable Simulator.Files.Interfaces.matConn In(Nc = Nc) if Bin annotation(
+      Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    replaceable Simulator.Files.Interfaces.matConn In_Dmy(Nc = Nc, P = 0, T = 0, x_pc = zeros(3, Nc), F = 0, H = 0, S = 0, xvap = 0) if not Bin annotation(
+      Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn In_Liq(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.trayConn Out_Vap(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {50, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    Simulator.Files.Interfaces.enConn En annotation(
+      Placement(visible = true, transformation(origin = {100, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 40}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+    
+    extends GuessModels.InitialGuess;
+    
+  equation
+//connector equation
+    if Bin then
+      In.x_pc[1, :] = xin_c[:];
+      In.H = Hin;
+      In.F = Fin;
+    else
+      In_Dmy.x_pc[1, :] = xin_c[:];
+      In_Dmy.H = Hin;
+      In_Dmy.F = Fin;
+    end if;
+    Out.P = P;
+    Out.T = T;
+    Out.x_pc[1, :] = xout_c;
+    Out.F = Fout;
+    Out.H = Hout;
+    In_Liq.F = Fliqin;
+    In_Liq.H = Hliqin;
+    In_Liq.x_c[:] = xliqin_c[:];
+    Out_Vap.F = Fvapout;
+    Out_Vap.H = Hvapout;
+    Out_Vap.x_c[:] = xvapout_c[:];
+    En.Q = Q;
+//Adjustment for thermodynamic packages
+    x_pc[1, :] = (Fout .* xout_c[:] + Fvapout .* xvapout_c[:]) ./ (Fout + Fvapout);
+     x_pc[2, :] = xout_c[:];
+//This equation is temporarily valid since this is only "partial" reboiler. Rewrite equation when "total" reboiler functionality is added
+    x_pc[3, :] = xvapout_c[:];
+//Bubble point calculation
+    Pbubl = sum(gmabubl_c[:] .* x_pc[1, :] .* Pvap_c[:] ./ philiqbubl_c[:]);
+//Dew point calculation
+    Pdew = 1 / sum(x_pc[1, :] ./ (gmadew_c[:] .* Pvap_c[:]) .* phivapdew_c[:]);
+//molar balance
+//  Fin + Fliqin = Fout + Fvapout;
+    for i in 1:Nc loop
+      Fin .* xin_c[i] + Fliqin .* xliqin_c[i] = Fout .* xout_c[i] + Fvapout .* xvapout_c[i];
+    end for;
+//equillibrium
+    xvapout_c[:] = K_c[:] .* xout_c[:];
+//summation equation
+//    sum(xvapout_c[:]) = 1;
+    sum(xout_c[:]) = 1;
+    for i in 1:Nc loop
+      Hvapout_c[i] = Simulator.Files.ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+    end for;
+    Hvapout = sum(xvapout_c[:] .* Hvapout_c[:]) + Hres_p[3];
+// bubble point calculations
+    P = sum(xout_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / T + C[:].VP[4] * log(T) + C[:].VP[5] .* T .^ C[:].VP[6]));
+//    Fout = 10;
+    Fin * Hin + Fliqin * Hliqin = Fout * Hout + Fvapout * Hvapout + Q;
+    annotation(
+      Diagram(coordinateSystem(extent = {{-100, -40}, {100, 40}})),
+      Icon(coordinateSystem(extent = {{-100, -40}, {100, 40}})),
+      __OpenModelica_commandLineOptions = "");
+  end Reb;
diff --git a/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/package.mo b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/package.mo
new file mode 100644
index 0000000..66cc267
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/package.mo
@@ -0,0 +1,5 @@
+within Simulator.UnitOperations;
+
+package DistillationColumn
+   extends Modelica.Icons.Package;
+end DistillationColumn;
diff --git a/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/package.order b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/package.order
new file mode 100644
index 0000000..5a8f2be
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/DistillationColumn/package.order
@@ -0,0 +1,4 @@
+Cond
+DistTray
+Reb
+DistCol
diff --git a/src/main/Simulator/Simulator/UnitOperations/EquilibriumReactor.mo b/src/main/Simulator/Simulator/UnitOperations/EquilibriumReactor.mo
new file mode 100644
index 0000000..73672e5
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/EquilibriumReactor.mo
@@ -0,0 +1,176 @@
+within Simulator.UnitOperations;
+
+model EquilibriumReactor
+
+extends Simulator.Files.Icons.EquilibriumReactor;
+
+//EquiibriumReactor Code works for all the valid phases and all modes available in DWSIM
+  //The reaction basis included are PartialPressure, Activity and MoleFraction
+  //The base component need not be specified and is directly calculated from an external function
+  //==========================================================================================================
+  parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] annotation(
+    Dialog(tab = "General-Specifications", group = "Component-parameters"));
+  
+  parameter Integer Nc annotation(
+    Dialog(tab = "General-Specifications", group = "Component-parameters"));
+  //======================================================================================
+
+  
+  extends Simulator.GuessModels.InitialGuess;
+  //Connector Variables
+  Real Pin, Tin, Fin, Hin, Sin, xin_c[Nc], xvapin;
+  Real Pout, Tout, Fout, Hout, Sout, xout_c[Nc], xvapout;
+  Real Q;
+
+//Model Variables
+  Real Psat[Nc]"Vapour Pressure";
+  Real Kmod[Nr]"Modified Equiibrium Contant";
+  Real Fin_c[Nc]"Component Molar Flow Rates";
+  Real Hr"Reaction Heat";
+  //Model Parameters
+  parameter String Phase;
+  parameter String Basis;
+  parameter String Mode;
+  parameter Real Pdel;
+  parameter Real Tdef;
+  //Reaction Variables
+  Real SC_rc[Nr,Nc];
+  Integer BC_r[Nr]"Base component of reaction";
+  Real Ndel[Nr];
+  Real Scabs[Nr,Nc]"Relative stoichiometry with respect to base component";
+  Real Ext_r[Nr](each start=xvapg) "Reaction Extent";
+  Real X_r[Nr,Nc]"Conversion of reactants";
+ //============================================================================================================
+
+ extends Simulator.Files.Models.ReactionManager.EquilibriumReaction( Nr = 1,Coef_cr = {{-1}, {-1}, {1},{1}},Rmode="ConstantK",Kg={0.5},T =Tout);
+ Simulator.Files.Interfaces.matConn Out(Nc=Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+ Simulator.Files.Interfaces.enConn enConn annotation(
+    Placement(visible = true, transformation(origin = {2, -100}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {0, -130}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+ Simulator.Files.Interfaces.matConn In(Nc=Nc) annotation(
+    Placement(visible = true, transformation(origin = {-98, -2}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, -2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+ //=========================================================================================
+equation
+//=========================================================================================
+  In.P = Pin;
+  In.T = Tin;
+  In.F = Fin;
+  In.H = Hin;
+  In.S = Sin;
+  In.x_pc[1, :] = xin_c;
+  In.xvap = xvapin;
+  Out.P = Pout;
+  Out.T = Tout;
+  Out.F = Fout;
+  Out.H = Hout;
+  Out.S = Sout;
+  Out.x_pc[1, :] = xout_c;
+  Out.xvap = xvapout;
+  enConn.Q = Q;
+ 
+  Pout = Pin - Pdel;
+ 
+for i in 1:Nc loop
+Psat[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP,Tin);
+end for;
+//Automated calculation of base component
+  for i in 1:Nc loop
+    Fin_c[i] = Fin * xin_c[i];
+  end for;
+
+for i in 1:Nr loop
+BC_r[i] = Simulator.Files.Models.ReactionManager.BaseCalc(Nc,Fin_c,SC_rc[i,:]);
+end for;
+
+
+for j in 1:Nr loop
+for i in 1:Nc loop
+SC_rc[j,i] = Coef_cr[i,j];
+end for;
+end for;
+//==========================================================================================================
+  for i in 1:Nr loop
+    Ndel[i] = sum(SC_rc[i, 1:Nc]);
+  end for;
+
+if Mode == "Isothermal" then
+  Tout = Tin;
+  Hr = Hr_r[1] * 1E-3 * (Fin_c[BC_r[1]]*X_r[1,BC_r[1]])/(Coef_cr[BC_r[1],1]) * (Coef_cr[BC_r[1],1]);
+  Q= (Hout*Fout*1E-3) - (Hin*Fin*1E-3) -Hr;
+  
+else
+  if Mode=="OutletTemperature" then
+  Tout = Tdef;
+  Hr = Hr_r[1] * 1E-3 * (Fin_c[BC_r[1]]*X_r[1,BC_r[1]])/(Coef_cr[BC_r[1],1]) * (Coef_cr[BC_r[1],1]);
+  Q= (Hout*Fout*1E-3) - (Hin*Fin*1E-3) -Hr;
+ 
+  else
+  Q=0;
+  Hr =Hr_r[1] * 1E-3 * (Fin_c[BC_r[1]]*X_r[1,BC_r[1]])/(Coef_cr[BC_r[1],1]) * (Coef_cr[BC_r[1],1]);
+  Q = (Hout*Fout*1E-3) - (Hin*Fin*1E-3) -Hr;
+  end if;
+end if;
+for i in 1:Nr loop
+  for j in 1:Nc loop
+    Scabs[i, j] = SC_rc[i, j] / abs(SC_rc[i, BC_r[i]]);
+  end for;
+end for;
+if Phase == "Vapour" then
+  if Basis == "MoleFraction" then
+    for i in 1:Nr loop
+      Kmod[i] = K[i];
+      Kmod[i] = product((xin_c+ Ext_r * Scabs) .^ SC_rc[i, 1:Nc]) / (1 + sum(Ext_r * Scabs)) ^ sum(SC_rc[i, 1:Nc]);
+    end for;
+  else
+    if Basis == "Activity" then
+      for i in 1:Nr loop
+        Kmod[i] = K[i] / (Pin / 101325) ^ Ndel[i];
+        Kmod[i] = product((xin_c + Ext_r * Scabs) .^ SC_rc[i, 1:Nc]) / (1 + sum(Ext_r * Scabs)) ^ sum(SC_rc[i, 1:Nc]);
+      end for;
+    else
+      for i in 1:Nr loop
+        Kmod[i] = K[i] / (Pout) ^ Ndel[i];
+        Kmod[i]=product((xin_c+Ext_r * Scabs).^ SC_rc[i, 1:Nc])/(1 + sum(Ext_r * Scabs))^sum(SC_rc[i, 1:Nc]);
+      end for;
+    end if;
+  end if;
+else
+  if Basis == "MoleFraction" then
+    for i in 1:Nr loop
+      Kmod[i] = K[i];
+      Kmod[i]=product((xin_c + Ext_r *Scabs).^ SC_rc[i,1:Nc])/(1 + sum(Ext_r * Scabs))^sum(SC_rc[i, 1:Nc]);
+    end for;
+  else
+    if Basis == "Activity" then
+      for i in 1:Nr loop
+        Kmod[i] = K[i] /( Pout ^ (-Ndel[i]));
+     Kmod[i]=product((Psat.*(xin_c + Ext_r * Scabs)).^ SC_rc[i, 1:Nc])/(1 + sum(Ext_r * Scabs))^sum(SC_rc[i, 1:Nc]);
+      end for;
+    else
+      for i in 1:Nr loop
+     Kmod[i] = K[i];
+    Kmod[i]=product((Psat.*(xin_c + Ext_r * Scabs)).^ SC_rc[i, 1:Nc])/(1 + sum(Ext_r * Scabs))^sum(SC_rc[i, 1:Nc]);
+      end for;
+    end if;
+  end if;
+end if;
+
+Fout = (1 + sum(Ext_r * Scabs))*Fin;
+for i in 1:Nc loop
+  xout_c[i] = (xin_c[i] + Ext_r * Scabs[1:Nr, i])*(Fin/Fout);
+end for;
+
+for j in 1:Nr loop
+for i in 1:Nc loop
+if(SC_rc[j,i]<0) then
+X_r[j,i] =((Fin *xin_c[i]) - (Fout * xout_c[i]))/(Fin * xin_c[i]);
+else
+X_r[j,i]=0;
+end if;
+end for;
+end for;
+//===========================================================================================================
+annotation(
+    Diagram(coordinateSystem(extent = {{-100, -200}, {100, 200}})),
+    Icon(coordinateSystem(extent = {{-100, -200}, {100, 200}})));
+end EquilibriumReactor;
diff --git a/src/main/Simulator/Simulator/UnitOperations/Flash.mo b/src/main/Simulator/Simulator/UnitOperations/Flash.mo
new file mode 100644
index 0000000..6cd2b24
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/Flash.mo
@@ -0,0 +1,129 @@
+within Simulator.UnitOperations;
+
+model Flash "Model of a flash column to separate vapor and liquid phases from a mixed phase material stream"
+//==============================================================================
+//Header Files and Parameters
+  extends Simulator.Files.Icons.Flash;
+  import Simulator.Files.*;
+  parameter ChemsepDatabase.GeneralProperties C[Nc];
+  parameter Integer Nc "Number of components";
+  parameter Boolean BTdef = false "True if flash is operated at temperature other than feed temp else false";
+  parameter Boolean BPdef = false "True if flash is operated at pressure other than feed pressure else false";
+  parameter Real Tdef(unit = "K") = 298.15 "Separation temperature if BTdef is true";
+  parameter Real Pdef(unit = "Pa") = 101325 "Separation pressure if BPdef is true";
+  
+//==============================================================================
+//Model Variables
+  Real T(unit = "K", start = Tg, min = 0) "Flash column temperature";
+  Real P(unit = "Pa", start = Pg, min = 0) "Flash column pressure";
+  Real Pbubl(unit = "Pa", min = 0, start = Pmin) "Bubble point pressure";
+  Real Pdew(unit = "Pa", min = 0, start = Pmax) "Dew point pressure";
+  Real F_p[3](each unit = "mol/s", each min = 0,start = {Fg,Fliqg,Fvapg})"Feed stream mole flow";
+  Real x_pc[3, Nc](each unit = "-", each min = 0, each max = 1, start={xguess,xg,yg}) "Component mole fraction";
+  Real Cp_pc[3, Nc](each unit = "kJ/[kmol.K]") "Component molar specific heat";
+  Real H_pc[3, Nc](each unit = "kJ/kmol") "Comopent molar enthalpy";
+  Real S_pc[3, Nc](each unit = "kJ/[kmol.K]") "Component molar entropy";
+  Real Cp_p[3](each unit = "kJ/[kmol.K]") "Molar specific heat in phase";
+  Real H_p[3](each unit = "kJ/kmol") "Molar enthalpy in phase";
+  Real S_p[3](each unit = "kJ/[kmol.K]") "Molar entropy in phase";
+  Real xliq(unit = "-", min = 0, max = 1, start = xliqg)"Liquid phase mole fraction";
+  Real xvap(unit = "-", min = 0, max = 1, start = xvapg) "Vapor phase mole fraction";
+  
+//===============================================================================
+//Instantiation of Connectors
+  Simulator.Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out1(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {102, 72}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 80}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out2(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, -72}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, -80}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  extends GuessModels.InitialGuess;
+  
+equation
+//================================================================================
+//Connector equation
+  if BTdef then
+    Tdef = T;
+  else
+    In.T = T;
+  end if;
+  if BPdef then
+    Pdef = P;
+  else
+    In.P = P;
+  end if;
+  In.F = F_p[1];
+  In.x_pc[1, :] = x_pc[1, :];
+  Out2.T = T;
+  Out2.P = P;
+  Out2.F = F_p[2];
+  Out2.x_pc[1, :] = x_pc[2, :];
+  Out1.T = T;
+  Out1.P = P;
+  Out1.F = F_p[3];
+  Out1.x_pc[1, :] = x_pc[3, :];
+  
+//=================================================================================
+//Mole Balance
+  F_p[1] = F_p[2] + F_p[3];
+  x_pc[1, :] .* F_p[1] = x_pc[2, :] .* F_p[2] + x_pc[3, :] .* F_p[3];
+  
+//==================================================================================
+//Bubble point calculation
+  Pbubl = sum(gmabubl_c[:] .* x_pc[1, :] .* exp(C[:].VP[2] + C[:].VP[3] / T + C[:].VP[4] * log(T) + C[:].VP[5] .* T .^ C[:].VP[6]) ./ philiqbubl_c[:]);
+  
+//==================================================================================
+//Dew point calculation
+  Pdew = 1 / sum(x_pc[1, :] ./ (gmadew_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / T + C[:].VP[4] * log(T) + C[:].VP[5] .* T .^ C[:].VP[6])) .* phivapdew_c[:]);
+  if P >= Pbubl then
+    x_pc[3, :] = zeros(Nc);
+    F_p[3] = 0;
+  elseif P >= Pdew then
+//===================================================================================
+//VLE region
+    for i in 1:Nc loop
+      x_pc[2, i] = x_pc[1, i] ./ (1 + xvap * (K_c[i] - 1));
+    end for;
+    sum(x_pc[2, :]) = 1;
+  else
+//==================================================================================
+//above dew point region
+    x_pc[2, :] = zeros(Nc);
+    F_p[2] = 0;
+  end if;
+//===================================================================================
+//Energy Balance / Specific Heat and Enthalpy calculation from Thermodynamic Functions
+   for i in 1:Nc loop
+    Cp_pc[2, i] = ThermodynamicFunctions.LiqCpId(C[i].LiqCp, T);
+    Cp_pc[3, i] = ThermodynamicFunctions.VapCpId(C[i].VapCp, T);
+    H_pc[2, i] = ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+    H_pc[3, i] = ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, T);
+    (S_pc[2, i], S_pc[3, i]) = ThermodynamicFunctions.SId(C[i].VapCp, C[i].HOV, C[i].Tb, C[i].Tc, T, P, x_pc[2, i], x_pc[3, i]);
+  end for;
+//=======================================================================================
+//Specific Heat and Enthalpy calculation for Liquid and Vapor Phase
+  for i in 2:3 loop
+    Cp_p[i] = sum(x_pc[i, :] .* Cp_pc[i, :]) + Cpres_p[i];
+    H_p[i] = sum(x_pc[i, :] .* H_pc[i, :]) + Hres_p[i];
+    S_p[i] = sum(x_pc[i, :] .* S_pc[i, :]) + Sres_p[i];
+  end for;
+//========================================================================================
+//Specific Heat and Enthalpy calculation for Mixture Phase
+  Cp_p[1] = xliq * Cp_p[2] + xvap * Cp_p[3];
+  Cp_pc[1, :] = x_pc[1, :] .* Cp_p[1];
+  H_p[1] = xliq * H_p[2] + xvap * H_p[3];
+  H_pc[1, :] = x_pc[1, :] .* H_p[1];
+  S_p[1] = xliq * S_p[2] + xvap * S_p[3];
+  S_pc[1, :] = x_pc[1, :] * S_p[1];
+  
+//=======================================================================================
+//phase molar fractions
+  xliq = F_p[2] / F_p[1];
+  xvap = F_p[3] / F_p[1];
+annotation(
+    Icon(coordinateSystem(extent = {{-100, -200}, {100, 200}})),
+    Diagram(coordinateSystem(extent = {{-100, -200}, {100, 200}})),
+    __OpenModelica_commandLineOptions = "",
+  Documentation(info = "<html><head></head><body>The flash column is used to calculate the vapor and liquid phase distribution for a mixed phase material stream.<div><br></div><div>Following calculation parameters may be provided for the flash column:</div><div><ol><li>Separation Temperature</li><li>Separation Pressure</li></ol><div><br></div></div><div>For example on simulating a flash column, go to <b><i>Examples</i></b> &gt;&gt; <b><i>Flash</i></b></div></body></html>"));
+  end Flash;
diff --git a/src/main/Simulator/Simulator/UnitOperations/HeatExchanger.mo b/src/main/Simulator/Simulator/UnitOperations/HeatExchanger.mo
new file mode 100644
index 0000000..f1d5847
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/HeatExchanger.mo
@@ -0,0 +1,751 @@
+within Simulator.UnitOperations;
+
+model HeatExchanger
+  extends Simulator.Files.Icons.HeatExchanger;
+  //Heat-Exchanger Operates in various modes
+  //Mode-I - Estimation of Hot Fluid Outlet Temperature
+  //      Inputs : Pdelh,deltap_cold,Heat_Loss,Tcout,Flow Direction,Name of the calculation type,Area
+  //Mode-II - Estimation of Cold Fluid Outlet Temperature
+  //      Inputs : Pdelh,deltap_cold,Heat_Loss,Thout,Flow Direction,Name of the calculation type,Area
+  //Mode-III - Estimation of Both the fluid outlet temperature
+  //      Inputs : Pdelh,deltap_cold,Heat_Loss,Qact,Flow Direction,Name of the calculation type,Area
+  //Mode-IV - Estimation of both the fluid outlet temperature-NTU Method
+  //      Inputs : Pdelh,deltap_cold,Heat_Loss,U,Flow Direction,Name of the calculation type,Area
+  //Mode-V-Estimation of Heat Transfer Area
+  //      Inputs : Pdelh,deltap_cold,Heat_Loss,U,Flow Direction,Name of the calculation type
+  //Mode-VI-Estimation of all parameters given the heat transfer Eff
+  //      Inputs : Pdelh,deltap_cold,Heat_Loss,U,Eff,Flow Direction,Name of the calculation type
+  
+  import Simulator.Files.*;
+  import Simulator.Files.Thermodynamic_Functions.*;
+  parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+  parameter Integer Nc "number of compounds ";
+  Simulator.Files.Interfaces.matConn In_Hot(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-74, 38}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out_Hot(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {80, 38}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn In_Cold(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-74, -28}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {0, 100}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out_Cold(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {76, -30}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {0, -100}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  //Parameters
+  //Mode-I -Outlet Temperature-Hot Stream Calculaions
+  parameter Real Qloss = 0;
+  parameter Real Pdelh = 0;
+  parameter Real Pdelc = 0;
+  parameter String Mode"''CoCurrent'',''CounterCurrent''";
+  parameter String Cmode"''BothOutletTemp(UA)''";
+  Real mu_c,mu_h,k_c,k_h,rho_c,rho_h,MW_h,MW_c;
+  //Variables
+  //Hot Stream Inlet
+  Real Phin(start=Pg);
+  Real Thin(start=Tg);
+  Real Fhin(start=Fg);
+  Real Hhin(start=Htotg);
+  Real Shin;
+  Real xhin_pc[2, Nc](start={xg,xg});
+  Real xvaphin(start=xvapg);
+  //Hot Stream Outlet
+  Real Phout(start=Pg);
+  Real Thout(start=Tg);
+  Real Fhout(start=Fg);
+  Real Hhout(start=Htotg);
+  Real Shout;
+  Real xhout_pc[2, Nc](start={xg,xg});
+  Real xvaphout;
+  //Cold Stream Inlet
+  Real Pcin(start=Pg);
+  Real Tcin(start=Tg);
+  Real Fcin[1](start=Fg);
+  Real Hcin(start=Htotg);
+  Real Scin;
+  Real xcin_pc[2, Nc];
+  Real xvapcin(start=xvapg);
+  //Cold Stream Outlet
+  Real Pcout(start=Pg);
+  Real Tcout(start=Tg);
+  Real couttT(start=Tg);
+  Real Fcout[1](start=Fg);
+  Real Hcout(start=Htotg);
+  Real Scout;
+  Real xcout_pc[2, Nc](start={xg,xg});
+  Real xvapcout(start=xvapg);
+  
+  Real Qact(start = 2000) "Actual Heat Load";
+  Real Qmax, Qmaxh, Qmaxc;
+  //Hot Stream Enthalpy at Cold Stream Inlet Temperature
+  Real Hhin_pc[2, Nc];
+  Real Hhin_p[3](start={Htotg,Hliqg,Hvapg});
+  //Cold Stream Enthalpy at Hot Stream Inlet Temperature
+  Real Hcin_pc[2, Nc];
+  Real Hcin_p[3](start={Htotg,Hliqg,Hvapg});
+  Real Hdel;
+  //Heat Exchanger Effeciency
+  Real Eff(start=xliqg);
+  //LMTD
+  Real Tdel1(start = Tg), Tdel2(start = Tg);
+  Real LMTDf "Final Log Mean Temperature Difference";
+  Real LMTD"LMTD estimated by other modes";
+  //Global Heat Transfer Coefficient
+  Real U(start=Fg),Uf(start=Fg);
+  //Heat Transfer A
+  Real Af"Final Heat Transfer Area",A;
+  
+  //==========================================================================================================
+  //Mode-4-NTU Method-when both the outlet temperatures are unknown
+  //Heat Capacity Rate for hot and cold fluid
+  Real Cc, Ch;
+  //Number of Transfer Units for Hot Side and Cold Side
+  Real Ntuc, Ntuh;
+  //Heat Capacity Ratio for hot and cold side
+  Real Rc, Rh;
+  //Effectiveness Factor
+  Real Effc, Effh;
+//==============================================================================================================  
+//==============================================================================================================
+  parameter String Case = "Cold in Tube";
+  //Case -Refers to the type of Fluid in the Tubes
+  //Case-1 - Cold Fluid in Tubes
+  //Case-2 - Hot  Fluid in Tubes
+
+  parameter String Layout = "Square";
+  //Layout - Referes to the Tube Layout arrangment
+  //Layout-1 - Triangle
+  //Layout-2 - Rotated Triangle
+  //Layout-3 - Square
+  //Layout-4 - Rotated Square
+   
+   
+  //Mass Parameters
+   Real MWhin,MWcin,MWhout,MWcout;
+   Real Cph_pc[3,Nc], Cpc_pc[3,Nc],Cph_p[3],Cpc_p[3],Cphin,Cpcin; 
+   Real Fmhin,Fmcin;
+   
+  //Design Rating Parameters and Variables
+  Real f1,f2,f3,f4,f5;
+  
+  Real Fx,Fy,Fl;
+  
+  //Parameters used to compute LMTD correction factor
+  Real R(start=6);
+  Real P(start=5);
+  Real S(start=6);
+  Real W(start=5);
+  Real LMTDr(start=20) "Log Mean Temperature Difference";
+  Real Tdel3(start=20);
+  Real Tdel4(start=30);
+  Real LMTDc(start=30) "Corrected Log Mean Temperature Difference";
+  
+  //Heat Exchanger Geometry
+  //Tube-Side Specifications
+  parameter Real Do(unit = "mm") = 19.04999 "External diameter of the tube";
+  parameter Real Di(unit = "mm") = 14.83004 "Internal diameter of the tube";
+  parameter Real L(unit = "m") = 6.5 "Tube Length";
+  parameter Real Pt(unit = "mm") = 25.39999 "Tube Spacing";
+  parameter Real n = 2 "Number of Shell Passes";
+  parameter Real Nts =500 "Tube Number per Shell";
+  parameter Real Tube_F(unit = "K.m^2/W") = 0.00035222 "Tube side Fouling Fractor";
+  parameter Real kt(unit = "W/m.K") = 70 "Thermal Conductivity of the tube material";
+  parameter Real Epsilon(unit = "mm") = 0.045 "Roughness";
+  
+  //===========================================================================================
+  //Shell Side Specifications
+  parameter Real Shells = 1 "Number of Shells in Series";
+  parameter Real nt = 2 "Number of Tube Passes per shell";
+  parameter Real Dsi(unit = "mm") = 736.5996 "Shell Internal Diameter";
+  parameter Real Baffle_Cut(unit = "%") = 25;
+  parameter Real Baffle_Spacing(unit = "mm") = 406.40003 "Baffle Spacing";
+  parameter Real Shell_F(unit = "K.m^2/W") = 0.0005283309 "Shell side Fouling Factor";
+  //==========================================================================================
+  //Thermo-Physical Properties evaluated at repsective temperatures
+  //==============================================================================================
+  //Density of individual components in units = mol/m^3
+  Real rho1[Nc](each unit = "mol/m^3");
+  Real rho2[Nc](each unit = "mol/m^3");
+  Real rho3[Nc](each unit = "mol/m^3");
+  Real rho4[Nc](each unit = "mol/m^3");
+  //Density of Inlet and Outlet Streams in units = kg/m^3
+  Real rho_cin(unit = "kg/m^3");
+  Real rho_hin(unit = "kg/m^3");
+  Real rho_cout(unit = "kg/m^3");
+  Real rho_hout(unit = "kg/m^3");
+  //Viscocity of individual components in units = Pas
+  Real mu1[Nc](each unit = "Pas");
+  Real mu2[Nc](each unit = "Pas");
+  Real mu3[Nc](each unit = "Pas");
+  Real mu4[Nc](each unit = "Pas");
+  //Viscocity of Inlet and Outlet Streams in units = Pas
+  Real mu_cin(unit = "Pas");
+  Real mu_hin(unit = "Pas");
+  Real mu_cout(unit = "Pas");
+  Real mu_hout(unit = "Pas");
+  //Thermal Conductivity of induvidual components in units = W/m.K
+  Real k1[Nc](each unit = "W/m.K");
+  Real k2[Nc](each unit = "W/m.K");
+  Real k3[Nc](each unit = "W/m.K");
+  Real k4[Nc](each unit = "W/m.K");
+  //Thermal Conductivity of Inlet and Outlet streams in units = W/m.K
+  Real k_cin(unit = "W/m.K");
+  Real k_hin(unit = "W/m.K");
+  Real k_cout(unit = "W/m.K");
+  Real k_hout(unit = "W/m.K");
+  //==============================================================================================
+  Real Area(unit = "m^2") "Flow area in the inner section of the tubes";
+  Real Atc;
+     
+  Real E_D "Roughness Factor";
+  //Constants to evaluate Friction Factor
+  Real a1;
+  Real b1;
+  Real f "Friction Factor-Tube Side";
+  Real Nt;
+  Real vt(unit = "m/s") "Average speed of the fluid flowing within the tubes";
+  Real Ret "Reynolds Number for the flow in the tubes";
+  Real Prt "Prandtl Number for tube side fluid";
+  Real Pdelt(unit = "Pa",start=Pg) "Tube side Pressure Drop";
+  Real hi(unit = "W/m^2.K") "Tube Side Heat Transfer Coefficient";
+  //Parameters for Tube Layout Geometry
+  Real xx, yy;
+  Real Nh, Y, Np;
+
+  Real Z;
+  //Shell Side Parameters
+  Real nsc;
+  Real Hdi;
+  Real Nb "Number of Baffles";
+  Real Dsf;
+  Real Fp;
+  Real Cb;
+  Real Ca;
+  Real Ss;
+  Real Ssf;
+  Real Gsf;
+  Real Res "Shell Side Reynolds Number";
+  Real Prs "Shell side Prandtl Number";
+  Real jh;
+  Real fs "Shell Side Friction Factor";
+  Real Cx;
+  Real Pdels(unit = "Pa",start=Pg) "Shell side Pressure Drop";
+  Real Fh;
+  Real Ssh(unit = "m^2") "Effective area of flow section";
+  Real Gsh;
+  Real Rsh;
+  Real lb;
+  Real Ec;
+  Real he(unit = "W/m^2.K") "Shell Side Heat Transfer Coefficient";
+  
+  protected
+  parameter Real aa1 = 0.9078565328950;
+  parameter Real bb1 = 0.6633110612656;
+  parameter Real cc1 = -4.432976463965;
+  parameter Real aa2 = 5.3718559074820;
+  parameter Real bb2 = -0.334167651380;
+  parameter Real cc2 = 0.7267144209289;
+  parameter Real aa3 = 0.5380765047084;
+  parameter Real bb3 = 0.3761125784041;
+  parameter Real cc3 = -3.874122438618;
+  parameter Real aa4 = 0.8413482436171;
+  parameter Real bb4 = 0.6137452048509;
+  parameter Real cc4 = -4.269631846617;
+  parameter Real aa5 = 4.9901814007765;
+  parameter Real bb5 = -0.324374425103;
+  parameter Real cc5 = 1.0848504232691;
+  parameter Real aa6 = 0.5502379008813;
+  parameter Real bb6 = 0.3655956022543;
+  parameter Real cc6 = -3.990413056254;
+  parameter Real aa7 = 0.6673865440676;
+  parameter Real bb7 = 0.6802600338862;
+  parameter Real cc7 = -4.522291113086;
+  parameter Real aa8 = 4.5749169651729;
+  parameter Real bb8 = -0.322017594423;
+  parameter Real cc8 = 1.1729518374369;
+  parameter Real aa9 = 0.3686963113096;
+  parameter Real bb9 = 0.3839785947581;
+  parameter Real cc9 = -3.627346599678;
+  parameter Real F =0.9828;
+  parameter Real m = 0.96;
+//=========================================================================================================== 
+ extends GuessModels.InitialGuess;
+equation
+//Hot Stream Inlet
+  In_Hot.P = Phin;
+  In_Hot.T = Thin;
+  In_Hot.F = Fhin;
+  In_Hot.H = Hhin;
+  In_Hot.S = Shin;
+  In_Hot.x_pc[1, :] = xhin_pc[1, :];
+  In_Hot.x_pc[2, :] = xhin_pc[2, :];
+  In_Hot.xvap = xvaphin;
+//Hot Stream Outlet
+  Out_Hot.P = Phout;
+  Out_Hot.T = Thout;
+  Out_Hot.F = Fhout;
+  Out_Hot.H = Hhout;
+  Out_Hot.S = Shout;
+  Out_Hot.x_pc[1, :] = xhout_pc[1, :];
+  Out_Hot.x_pc[2, :] = xhout_pc[2, :];
+  Out_Hot.xvap = xvaphout;
+//Cold Stream In
+  In_Cold.P = Pcin;
+  In_Cold.T = Tcin;
+  In_Cold.F = Fcin[1];
+  In_Cold.H = Hcin;
+  In_Cold.S = Scin;
+  In_Cold.x_pc[1, :] = xcin_pc[1, :];
+  In_Cold.x_pc[2, :] = xcin_pc[2, :];
+  In_Cold.xvap = xvapcin;
+//Cold Stream Out
+  Out_Cold.P = Pcout;
+  Out_Cold.T = couttT;
+  Out_Cold.F = Fcout[1];
+  Out_Cold.H = Hcout;
+  Out_Cold.S = Scout;
+  Out_Cold.x_pc[1, :] = xcout_pc[1, :];
+  Out_Cold.x_pc[2, :] = xcout_pc[2, :];
+  Out_Cold.xvap = xvapcout;
+equation
+  Fhin = Fhout;
+  Fcin[1] = Fcout[1];
+  xhin_pc[1] = xhout_pc[1];
+  xcin_pc[1] = xcout_pc[1];
+  Phout = Phin - Pdelh;
+  Pcout = Pcin - Pdelc;
+  Qact = Fcin[1] * (Hcout - Hcin);
+  Hdel = -(Qact + Qloss * 1000) / Fhin;
+  if Cmode == "BothOutletTemp(UA)" then
+    Hhout = Hhin - Qact / Fhin - Qloss * 1000 / Fhin;
+    Tcout = Tcin + Effc * (Thin - Tcin);
+  else
+    Tcout = couttT;
+    Hhout = Hhin + Hdel;
+  end if;
+//==========================================================================================================
+//Calculation of Hot Stream Enthalpy at  Cold Stream Inlet Temperature
+  for i in 1:Nc loop
+    Hhin_pc[1, i] = ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, Tcin);
+    Hhin_pc[2, i] = ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, Tcin);
+  end for;
+  for i in 1:2 loop
+    Hhin_p[i] = sum(xhin_pc[i, :] .* Hhin_pc[i, :]);
+/*+ inResMolEnth[2, i]*/
+  end for;
+  Hhin_p[3] = (1 - xvaphin) * Hhin_p[1] + xvaphin * Hhin_p[2];
+//Maximum Theoritical Heat Exchange-Hot Fluid
+  Qmaxh = Fhin * (Hhin - Hhin_p[3]);
+//===========================================================================================================
+//Enthalpy of Cold Stream Enthalpy at Hot Fluid Inlet Temperature
+  for i in 1:Nc loop
+    Hcin_pc[1, i] = ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, Thin);
+    Hcin_pc[2, i] = ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, Thin);
+  end for;
+  for i in 1:2 loop
+    Hcin_p[i] = sum(xcin_pc[i, :] .* Hcin_pc[i, :]);
+/*+ inResMolEnth[1, i]*/
+  end for;
+  Hcin_p[3] = (1 - xvapcin) * Hcin_p[1] + xvapcin * Hcin_p[2];
+//Maximum Theoritical Heat Exchange- Cold Fluid
+  Qmaxc = Fcin[1] * abs(Hcin - Hcin_p[3]);
+//Maximum Heat Exchange
+  Qmax = min(Qmaxh, Qmaxc);
+  Eff = (Qact - Qloss * 1000) / Qmax * 100;
+//Log Mean Temperature Difference
+  if(Mode=="CoCurrent") then
+    Tdel1 =Thin-Tcin;
+    Tdel2 =Thout-Tcout;  
+  elseif Mode=="CounterCurrent" then
+    Tdel1 =Thin-Tcout;
+    Tdel2 =Thout-Tcin;
+  end if;
+  
+  if Tdel1 <= 0 or Tdel2 <= 0 then
+    LMTD = 1;
+  else
+    LMTD = (Tdel1 - Tdel2) / log(Tdel1 / Tdel2);
+  end if;
+
+//NTU-Method
+  Cc = Fcin[1] * ((Hcout - Hcin) / (Tcout - Tcin));
+  Ch = Fhin * ((Hhout - Hhin) / (Thout - Thin));
+//Number of Transfer Units
+  Ntuc = U * A / Cc;
+  Ntuh = U * A / Ch;
+//Heat Capacity Ratio for Hot and Cold Side
+  Rc = Cc / Ch;
+  Rh = Ch / Cc;
+  
+
+  if Mode=="CoCurrent" then
+    Effc = (1- exp(-Ntuc * (1+Rc)))/(1+Rc);
+    Effh =  (1- exp(-Ntuh * (1+Rh)))/(1+Rh);
+  elseif Mode=="CounterCurrent" then
+    Effc = (1-exp((Rc-1)*Ntuc))/(1 -Rc*  exp((Rc-1)*Ntuc));
+    Effh =  (1-exp((Rh-1) *Ntuh ))/(1 -Rh *  exp((Rh-1)*Ntuh));
+  end if;
+ 
+//=========================================================================================================  
+  Uf = (Qact) / (Af * LMTDf);
+//===========================================================================================================
+f1 = Do * 1E-3 / (hi * (Di * 1E-3));
+f2 = Tube_F * (Do * 1E-3) / (Di * 1E-3);
+f3 = Do * 1E-3 / (2 * kt) * log(Do / Di);
+f4 = Shell_F;
+f5 = 1 / he;
+
+//Estimation of Shell side Heat Transfer Coefficient
+  Fh = 1 / (1 + Nh * (Dsi / Pt) ^ 0.5);
+  Ssh = Ss * m / Fh;
+  lb = Baffle_Spacing * 1E-3 * (Nb - 1);
+  if L == lb then
+    Ec = 1;
+  else
+    Ec = (lb + (L - lb) * (2 * (Baffle_Spacing * 1E-3) / (L - lb)) ^ 0.6) / L;
+  end if;
+//==============================================================================================================
+  if Case == "Cold in Tube" then
+    Gsh = Fmhin / Ssh;
+    Rsh = Gsh * (Do * 1E-3) / mu_h;
+    he = jh * k_h * (Prs ^ 0.34 / (Do * 1E-3)) * Ec;
+  else
+    Gsh = Fmcin / Ssh;
+    Rsh = Gsh * (Do * 1E-3) / mu_c;
+    he = jh * k_c * Prs ^ 0.34 / (Do * 1E-3) * Ec;
+  end if;
+//==============================================================================================================
+//Shell-Side Pressure Drop
+  if Case == "Cold in Tube" then
+    Pdels = 4 * fs * Gsf ^ 2 / (2 * rho_h) * Cx * (1 - Hdi) * (Dsi / Pt) * Nb * (1 + Y * (Pt / Dsi)) * Shells;
+  else
+    Pdels = 4 * fs * Gsf ^ 2 / (2 * rho_c) * Cx * (1 - Hdi) * (Dsi / Pt) * Nb * (1 + Y * (Pt / Dsi)) * Shells;
+  end if;
+//==============================================================================================================
+//============================================================================================================
+//Computation of Friction Factor for Shell Side Flow
+  if Layout == "Triangle" and Layout == "Rotated Triangle" then
+    if Res < 100 then
+      jh = 0.497 * Rsh ^ 0.54;
+    else
+      jh = 0.378 * Rsh ^ 0.59;
+    end if;
+//============================================================================================================
+    if Z <= 1.2 then
+      if Res < 100 then
+        fs = 276.46 * Res ^ (-0.979);
+      elseif Res < 1000 then
+        fs = 30.26 * Res ^ (-0.523);
+      else
+        fs = 2.93 * Res ^ (-0.186);
+      end if;
+    elseif Z <= 1.3 then
+      if Res < 100 then
+        fs = 208.14 * Res ^ (-0.945);
+      elseif Res < 1000 then
+        fs = 27.6 * Res ^ (-0.525);
+      else
+        fs = 2.27 * Res ^ (-0.163);
+      end if;
+    elseif Z <= 1.4 then
+      if Res < 100 then
+        fs = 122.73 * Res ^ (-0.865);
+      elseif Res < 1000 then
+        fs = 17.82 * Res ^ (-0.474);
+      else
+        fs = 1.86 * Res ^ (-0.146);
+      end if;
+    else
+      if Res < 100 then
+        fs = 104.33 * Res ^ (-0.869);
+      elseif Res < 1000 then
+        fs = 12.69 * Res ^ (-0.434);
+      else
+        fs = 1.526 * Res ^ (-0.129);
+      end if;
+    end if;
+//==================================================================================================
+  else
+    if Res < 100 then
+      jh = 0.385 * Rsh ^ 0.526;
+    else
+      jh = 0.2487 * Rsh ^ 0.625;
+    end if;
+//===================================================================================================
+    if Z <= 1.2 then
+      if Res < 100 then
+        fs = 230 * Res ^ (-1);
+      elseif Res < 1000 then
+        fs = 16.23 * Res ^ (-0.43);
+      else
+        fs = 2.67 * Res ^ (-0.173);
+      end if;
+    elseif Z <= 1.3 then
+      if Res < 100 then
+        fs = 142.22 * Res ^ (-0.949);
+      elseif Res < 1000 then
+        fs = 11.93 * Res ^ (-0.43);
+      else
+        fs = 1.77 * Res ^ (-0.144);
+      end if;
+    elseif Z <= 1.4 then
+      if Res < 100 then
+        fs = 110.77 * Res ^ (-0.965);
+      elseif Res < 1000 then
+        fs = 7.524 * Res ^ (-0.4);
+      else
+        fs = 1.01 * Res ^ (-0.104);
+      end if;
+    else
+      if Res < 100 then
+        fs = 58.18 * Res ^ (-0.862);
+      elseif Res < 1000 then
+        fs = 6.76 * Res ^ (-0.411);
+      else
+        fs = 0.718 * Res ^ (-0.008);
+      end if;
+    end if;
+  end if;
+//==============================================================================================================
+//Cx values with respect to Tube_Layout
+  if Layout == "Triangle" and Layout == "Rotated Triangle" then
+    Cx = 1.154;
+  elseif Layout == "Square" then
+    Cx = 1;
+  else
+    Cx = 1.414;
+  end if;
+//============================================================================================================
+//=============================================================================================================
+//Calculation of Reynolds Number for Shell Side
+  if Case == "Cold in Tube" then
+    Gsf = Fmhin / Ssf;
+    Res = Gsf * (Do * 1E-3) / mu_h;
+    Prs = mu_h * (Cphin / MW_h) / (k_h * 1E-3);
+  else
+    Gsf = Fmcin / Ssf;
+    Res = Gsf * (Do * 1E-3) / mu_c;
+    Prs = mu_c * (Cpcin / MW_c) / (k_c * 1E-3);
+  end if;
+  Z = Pt / Do;
+//=============================================================================================================  
+//======================================================================================================
+//Shell-Side Calculations
+  if Layout == "Triangle" and Layout == "Rotated Triangle" then
+    nsc = 1.1 * Nts ^ 0.5;
+  else
+    nsc = 1.19 * Nts ^ 0.5;
+  end if;
+  Dsf = (nsc - 1) * (Pt * 1E-3) + Do * 1E-3;
+  Hdi = Baffle_Cut / 100;
+  Nb = L / (Baffle_Spacing * 1E-3) + 1;
+//Calculation of Shell Side Pressure Drop
+  xx = Dsi / Baffle_Spacing;
+  yy = Pt / Do;
+  if Layout == "Triangle" and Layout == "Rotated Triangle" then
+    Nh = aa1 * xx ^ bb1 * yy ^ cc1;
+    Y = aa2 * xx ^ bb2 * yy ^ cc2;
+    Np = aa3 * xx ^ bb3 * yy ^ cc3;
+    Cb = 0.97;
+  elseif Layout == "Square" then
+    Nh = aa4 * xx ^ bb4 * yy ^ cc4;
+    Y = aa5 * xx ^ bb5 * yy ^ cc5;
+    Np = aa6 * xx ^ bb6 * yy ^ cc6;
+    Cb = 0.97;
+  else
+    Nh = aa7 * xx ^ bb7 * yy ^ cc7;
+    Y = aa8 * xx ^ bb8 * yy ^ cc8;
+    Np = aa9 * xx ^ bb9 * yy ^ cc9;
+    Cb = 1.37;
+  end if;
+  Fp = 1 / (0.8 + Np * (Dsi * 1E-3 / (Pt * 1E-3)) ^ 0.5);
+  Ca = Cb * (Pt * 1E-3 - Do * 1E-3) / (Pt * 1E-3);
+  Ss = Ca * (Baffle_Spacing * 1E-3) * Dsf;
+  Ssf = Ss / Fp;
+//========================================================================================================
+
+//=============================================================================================================
+//Computation of Tube Side Pressure Dropf
+  if Case == "Cold in Tube" then
+    Pdelt = f * L * (nt / (Di * 1E-3)) * (vt ^ 2 / 2) * rho_c;
+    hi * Di * 1E-3 / k_c = f / 8 * Ret * (Prt / (1.07 + 12.7 * (f / 8) ^ 0.5 * (Prt ^ (2 / 3) - 1)));
+  else
+    Pdelt = f * L * nt / (Di * 1E-3 * (vt ^ 2 / 2) * rho_h);
+    hi * (Di * 1E-3) / k_h = f / 8 * Ret * Prt / (1.07 + 12.7 * (f / 8) ^ 0.5 * (Prt ^ (2 / 3) - 1));
+  end if;
+//===========================================================================================================
+//===========================================================================================================
+//Calculation of Friction Factor
+  E_D = Epsilon / Di;
+  if Ret > 3250 then
+    a1 = log10(E_D ^ 1.1096 / 2.8257 + (7.149 / Ret) ^ 0.8961);
+    b1 = -2 * log10(E_D / 3.7065 - 5.0452 * a1 / Ret);
+    f = (1 / b1) ^ 2 * 1.2;
+  else
+    a1 = 0;
+    b1 = 0;
+    f = 64 / Ret * 1.2;
+  end if;
+//===========================================================================================================
+  Area = 3.14 * (Di * 1E-3) ^ 2 / 4;
+  if Case == "Cold in Tube" then
+    vt = Fmcin / (rho_c * Nt * Area);
+    Ret = rho_c * vt * (Di * 1E-3) / mu_c;
+    Prt = mu_c * (Cpcin / MW_c) / (k_c * 1E-3);
+  else
+    vt = Fmhin / (rho_h * Nt * (3.14 / 4 * (Di * 1E-3) ^ 2));
+    Ret = rho_h * vt * (Di * 1E-3) / mu_h;
+    Prt = mu_h * (Cphin / MW_h) / (k_h * 1E-3);
+  end if;
+//===========================================================================================================
+ //Calculation of Thermo-Physical Properties
+//===========================================================================================================
+  for i in 1:Nc loop
+    rho1[i] = ThermodynamicFunctions.Dens(C[i].LiqDen, C[i].Tc, (Tcin + Tcout) / 2, Pcin);
+    rho2[i] = ThermodynamicFunctions.Dens(C[i].LiqDen, C[i].Tc, (Thin + Thout) / 2, Phin);
+    rho3[i] = ThermodynamicFunctions.Dens(C[i].LiqDen, C[i].Tc, (Tcin + Tcout) / 2, Pcout);
+    rho4[i] = ThermodynamicFunctions.Dens(C[i].LiqDen, C[i].Tc, (Thin + Thout) / 2, Phout);
+  end for;
+  rho_cin = sum(xcin_pc[1, :] .* rho1[:]) * 1E-3 * MWcin;
+  rho_hin = sum(xhin_pc[1, :] .* rho2[:]) * 1E-3 * MWhin;
+  rho_cout = sum(xcout_pc[1, :] .* rho3[:]) * 1E-3 * MWcout;
+  rho_hout = sum(xhout_pc[1, :] .* rho4[:]) * 1E-3 * MWhout;
+//rho_cin = 1035.41732;
+//rho_hin = 669.43412;
+//rho_hout = 705.29712;
+//rho_cout = 1020.06001;
+rho_c = (rho_cin + rho_cout)/2;
+rho_h = (rho_hin + rho_hout)/2;
+//=======================================================================================================
+  for i in 1:Nc loop
+    mu1[i] = Simulator.Files.TransportProperties.LiqVis(C[i].LiqVis, (Tcin + Tcout) / 2);
+    mu2[i] = Simulator.Files.TransportProperties.LiqVis(C[i].LiqVis, (Thin + Thout) / 2);
+    mu3[i] = Simulator.Files.TransportProperties.LiqVis(C[i].LiqVis, (Tcin + Tcout) / 2);
+    mu4[i] = Simulator.Files.TransportProperties.LiqVis(C[i].LiqVis, (Thin + Thout) / 2);
+  end for;
+  mu_cin = sum(xcin_pc[1, :] .* mu1[:]);
+  mu_hin = sum(xhin_pc[1, :] .* mu2[:]);
+  mu_cout =sum(xcout_pc[1, :] .* mu3[:]);
+  mu_hout =sum(xhout_pc[1, :] .* mu4[:]);
+//mu_cin = 0.000801837023398036 ;
+//mu_cout = 0.000603245481110247  ;
+//mu_hin = 0.000350348400808961 ;
+//mu_hout = 0.000545155323029587;
+mu_c = (mu_cin + mu_cout)/2;
+mu_h = (mu_hin + mu_hout)/2;
+//==========================================================================================================
+  for i in 1:Nc loop
+    k1[i] = Simulator.Files.TransportProperties.LiqK(C[i].LiqK, (Tcin + Tcout) / 2);
+    k2[i] = Simulator.Files.TransportProperties.LiqK(C[i].LiqK, (Thin + Thout) / 2);
+    k3[i] = Simulator.Files.TransportProperties.LiqK(C[i].LiqK, (Tcin + Tcout) / 2);
+    k4[i] = Simulator.Files.TransportProperties.LiqK(C[i].LiqK, (Thin + Thout) / 2);
+  end for;
+  k_cin = sum(xcin_pc[1, :] .* k1[:]);
+  k_hin = sum(xhin_pc[1, :] .* k2[:]);
+  k_cout = sum(xcout_pc[1, :] .* k3[:]);
+  k_hout = sum(xhout_pc[1, :] .* k4[:]);
+//k_cin =0.304;
+//k_hin =0.11505;
+//k_cout = 0.29663;
+//k_hout = 0.12535; 
+k_c = (k_cin + k_cout)/2;
+k_h = (k_hin + k_hout)/2;
+//========================================================================================================= 
+  Atc = Af / Shells;
+//=======================================================================================================
+  Nt = Nts / nt; 
+//=======================================================================================================  
+//Calculation of Corrected LMTD
+if Case == "Cold in Tube" then
+    R = (Thin - Thout) / (Tcout - Tcin);
+    P = (Tcout - Tcin) / (Thin - Tcin);
+  else
+    Thout = P * (Tcin - Thin) + Thin;
+    Tcout = Tcin - R * (Thout - Thin);
+  end if;
+//===================================================================================================
+  if Mode == "CounterCurrent" then
+    Tdel3 = Thin -Tcout;
+    Tdel4 = Thout - Tcin;
+  else
+    Tdel3 = Thin - Tcin;
+    Tdel4 = Thout - Tcout;
+  end if;
+//==================================================================================================
+if Tdel3 <= 0 or Tdel4 <= 0 then
+    LMTDr = 1;
+  else
+    LMTDr = (Tdel3 - Tdel4) / log(Tdel3 / Tdel4);
+  end if;  
+  S = (R ^ 2 + 1) ^ 0.5 / (R - 1);
+//Parameters to evaluate the LMTD correction Factor
+  if R == 1 then
+    W = (n -( n * P)) / (n - (n * P + P));
+    Fx = (W / (1 - W) + 1 / 2 ^ 0.5);
+    Fy = (W / (1 - W) - 1 / 2 ^ 0.5);
+    Fl = 1.414 * ((1 - W) / W);
+//    F = 2 ^ 0.5 * ((1 - W) / W) / log((W / (1 - W) + 1 / 2 ^ 0.5) / (W / (1 - W) - 1 / 2 ^ 0.5));
+  else
+    W = ((1 - P * R) / (1 - P)) ^ (1 / n);
+    Fx = (1 + W - S + S * W);
+    Fy = (1 + W + S - S * W);
+    Fl = S * log(W);
+//    F = Fl*Fz;
+//    F = S * log(W) / log((1 + W - S + S * W) / (1 + W + S - S * W));
+  end if;
+//  W = 0.64;
+
+//Corrected LMTD
+LMTDc = LMTDr * F;
+
+//=================================================================================================
+if(Cmode  == "Design") then 
+Af = Nts * 3.14 * (Do * 1E-3) * (L - 2 * Do * 1E-3);
+Uf =1/(f1+f2+f3+f4+f5);
+LMTDf = LMTDc;
+U =0;
+A=0;
+else
+Uf = U;
+Af = A;
+LMTDf = LMTD;
+end if;
+//=====================================================================================================
+//Specific Heat Routine for Hot-Inlet
+for i in 1:Nc loop
+Cph_pc[2, i] = ThermodynamicFunctions.LiqCpId(C[i].LiqCp, Thin);
+Cph_pc[3, i] = ThermodynamicFunctions.VapCpId(C[i].VapCp, Thin);
+end for;
+//==================================================================================================
+ for i in 2:3 loop
+    Cph_p[i] = sum(xhin_pc[i, :] .* Cph_pc[i, :]);
+  end for;
+ Cph_p[1] = (1-xvaphin) * Cph_p[2] + xvaphin * Cph_p[3];  
+ Cph_pc[1, :] = xhin_pc[1, :] .* Cph_p[1];
+ Cphin = Cph_p[1]; 
+ 
+//Specific Heat Routine for Cold-Inlet
+for i in 1:Nc loop
+Cpc_pc[2, i] = ThermodynamicFunctions.LiqCpId(C[i].LiqCp, Tcin);
+Cpc_pc[3, i] = ThermodynamicFunctions.VapCpId(C[i].VapCp, Tcin);
+end for;
+
+ for i in 2:3 loop
+    Cpc_p[i] = sum(xcin_pc[i, :] .* Cpc_pc[i, :]);
+  end for;
+ Cpc_p[1] = (1-xvapcin) * Cpc_p[2] + xvapcin * Cpc_p[3]; 
+ Cpc_pc[1, :] = xcin_pc[1, :] .* Cpc_p[1];  
+ Cpcin = Cpc_p[1];
+ //=====================================================================================================
+//======================================================================================================== 
+  Fmhin = Fhin * MWhin*1E-3;
+  Fmcin = Fcin[1] * MWcin*1E-3;
+//=========================================================================================================
+//==========================================================================================================
+  MW_h = (MWhin+MWhout)/2;
+  MW_c = (MWcin + MWcout)/2;
+algorithm
+  for i in 1:Nc loop
+    MWhin  :=  MWhin  +  C[i].MW *   xhin_pc[1,i];
+    MWhout :=  MWhout +  C[i].MW *   xhout_pc[1,i];
+    MWcin  :=  MWcin  +  C[i].MW *   xcin_pc[1,i];
+    MWcout :=  MWcout +  C[i].MW *   xcout_pc[1,i];
+  end for;   
+
+end HeatExchanger;
diff --git a/src/main/Simulator/Simulator/UnitOperations/Heater.mo b/src/main/Simulator/Simulator/UnitOperations/Heater.mo
new file mode 100644
index 0000000..1f2d10a
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/Heater.mo
@@ -0,0 +1,62 @@
+within Simulator.UnitOperations;
+
+model Heater "Model of a heater to heat a material stream"
+  extends Simulator.Files.Icons.Heater;
+  
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+    parameter Integer Nc "Number of components";
+  //========================================================================================
+  Real Fin(unit = "mol/s", min = 0, start = Fg) "Inlet stream molar flow rate";
+  Real Pin(unit = "Pa", min = 0, start = Pg) "Inlet stream pressure";
+  Real Tin(unit = "K", min = 0, start = Tg) "Inlet stream temperature";
+  Real Hin(unit = "kJ/kmol",start=Htotg) "inlet stream molar enthalpy";
+  Real xvapin(unit = "-", min = 0, max = 1, start = xvapg) "Inlet stream vapor phase mole fraction";
+  
+  Real x_c[Nc](each unit = "-", each min = 0, each max = 1) "Component mole fraction";
+  Real Q(unit = "W") "Heat added";
+  Real Fout(unit = "mol/s", min = 0, start = Fg) "outlet stream molar flow rate";
+  Real Pout(unit = "Pa", min = 0, start = Pg) "Outlet stream pressure";
+  Real Tout(unit = "K", min = 0, start = Tg) "Outlet stream temperature";
+  Real Tdel(unit = "K") "Temperature Increase";
+  Real xvapout(unit = "-", min = 0, max = 1, start = xvapg) "Outlet stream vapor mole fraction";
+  Real Hout(unit = "kJ/kmol",start=Htotg) "outlet mixture molar enthalpy";
+  //========================================================================================
+  parameter Real Pdel(unit = "Pa") "Pressure drop";
+  parameter Real Eff(unit = "-") "Efficiency";
+  //========================================================================================
+  Simulator.Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, -2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.enConn En annotation(
+    Placement(visible = true, transformation(origin = {0, -100}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-98, -98}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  //=========================================================================================
+
+  extends GuessModels.InitialGuess;
+equation
+//connector equations
+  In.P = Pin;
+  In.T = Tin;
+  In.F = Fin;
+  In.H = Hin;
+  In.x_pc[1, :] = x_c[:];
+  In.xvap = xvapin;
+  Out.P = Pout;
+  Out.T = Tout;
+  Out.F = Fout;
+  Out.H = Hout;
+  Out.x_pc[1, :] = x_c[:];
+  Out.xvap = xvapout;
+  En.Q = Q;
+//=============================================================================================
+  Fin = Fout;
+//material balance
+  Hin + Eff * Q / Fin = Hout;
+//energy balance
+  Pin - Pdel = Pout;
+//pressure calculation
+  Tin + Tdel = Tout;
+//temperature calculation
+  annotation(
+    Documentation(info = "<html><head></head><body>The heater is used to simulate the heating process of a material stream.<div><br></div><div>Following calculation parameters must be provided to the heater:</div><div><ol><li>Pressure Drop</li><li>Efficiency</li></ol><div>In addition to the above parameters, any one additional variable from the below list must be provided for the model to simulate successfully:</div><div><ol><li>Outlet Temperature (Tout)</li><li>Temperature Increase (Tdel)</li><li>Heat Added (Q)</li><li>Outlet Stream Vapor Phase Mole Fraction (xvapout)</li></ol><div><br></div></div><div><span style=\"font-size: 12px;\">For examples on simulating a heater, go to&nbsp;</span><b style=\"font-size: 12px;\"><i>Examples</i></b><span style=\"font-size: 12px;\">&nbsp;&gt;&gt; <b><i>Heater</i></b></span></div><div><br></div><div><br></div><div><br></div></div></body></html>"));
+end Heater;
diff --git a/src/main/Simulator/Simulator/UnitOperations/Mixer.mo b/src/main/Simulator/Simulator/UnitOperations/Mixer.mo
new file mode 100644
index 0000000..ae0a1d9
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/Mixer.mo
@@ -0,0 +1,73 @@
+within Simulator.UnitOperations;
+
+model Mixer "Model of a mixer to mix multiple material streams"
+  extends Simulator.Files.Icons.Mixer;
+  import Simulator.Files.*;
+  parameter ChemsepDatabase.GeneralProperties C[Nc];
+  parameter Integer Nc "Number of components";
+  parameter Integer NI = 6 "Number of inlet streams";
+  
+  Real Pin[NI](unit = "Pa", min = 0, start = Pg) "Inlet stream pressure";
+  Real xin_sc[NI, Nc](each unit = "-", each min = 0, each max = 1) "Inlet stream component mol fraction";
+  Real Fin_s[NI](each unit = "mol/s", each min = 0, each start = Fg) "Inlet stream Molar Flow";
+  Real Hin_s[NI](each unit = "kJ/kmol") "Inlet stream molar enthalpy";
+  Real Tin_s[NI](each unit = "K", each min = 0, each start = Tg) "Inlet stream temperature";
+  Real Sin_s[NI](each unit = "kJ/[kmol.K]") "Inlet stream molar entropy";
+  Real xvapin_s[NI](each unit = "-", each min = 0, each max = 1, each start = xvapg) "Inlet stream vapor phase mol fraction";
+  
+  parameter String outPress "Calculation mode for outet pressure: Inlet_Minimum, Inlet_Average, Inlet_Maximum";
+  
+  Real Fout(unit = "mol/s", each min = 0, each start = Fg) "Outlet stream molar flow";
+  Real Pout(unit = "Pa", min = 0, start = Pg) "Outlet stream pressure";
+  Real Hout(unit = "kJ/kmol") "Outlet stream molar enthalpy";
+  Real Tout(unit = "K", each min = 0, each start = Tg) "Outlet stream temperature";
+  Real Sout(unit = "kJ/[kmol.K]") "Outlet stream molar entropy";
+  Real xvapout(unit = "-", min = 0, max = 1, start = xvapg) "Outlet stream vapor phase mol fraction";
+  Real xout_c[Nc](each unit = "-", each min = 0, each max = 1, start = xguess) "Outlet stream component mol fraction";
+ //================================================================================
+  //  Files.Interfaces.matConn inlet[NI](each Nc = Nc);
+  Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, -2}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn In[NI](each Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, -2}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  extends GuessModels.InitialGuess;
+  
+equation
+//Connector equation
+  for i in 1:NI loop
+    In[i].P = Pin[i];
+    In[i].T = Tin_s[i];
+    In[i].F = Fin_s[i];
+    In[i].H = Hin_s[i];
+    In[i].S = Sin_s[i];
+    In[i].x_pc[1, :] = xin_sc[i, :];
+    In[i].xvap = xvapin_s[i];
+  end for;
+  Out.P = Pout;
+  Out.T = Tout;
+  Out.F = Fout;
+  Out.H = Hout;
+  Out.S = Sout;
+  Out.x_pc[1, :] = xout_c[:];
+  Out.xvap = xvapout;
+//===================================================================================
+//Output Pressure
+  if outPress == "Inlet_Minimum" then
+    Pout = min(Pin);
+  elseif outPress == "Inlet_Average" then
+    Pout = sum(Pin) / NI;
+  elseif outPress == "Inlet_Maximum" then
+    Pout = max(Pin);
+  end if;
+//Molar Balance
+  Fout = sum(Fin_s[:]);
+  for i in 1:Nc loop
+    xout_c[i] * Fout = sum(xin_sc[:, i] .* Fin_s[:]);
+  end for;
+//Energy balance
+  Hout = sum(Hin_s[:] .* Fin_s[:] / Fout);
+
+annotation(
+    Documentation(info = "<html><head></head><body><!--StartFragment--><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13.3333px; orphans: 2; widows: 2;\">The Mixer is used to mix up to any number of material streams into one, while executing all the mass and energy balances.</span><div style=\"orphans: 2; widows: 2;\"><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\"><br></span></font></div><div style=\"orphans: 2; widows: 2;\"><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">The only calculation parameter for mixer is the outlet pressure calculation (<b>Pout</b>). It can be calculated in three different modes:</span></font></div><div style=\"orphans: 2; widows: 2;\"><ol><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\"><b>Inlet_Minimum</b>: Outlet pressure is taken as minimum of all inlet streams pressure</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\"><b>Inlet_Average</b></span></font><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13px;\">: Outlet pressure is calculated as average of all inlet streams pressure</span></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\"><b>Inlet_Maximum</b></span></font><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13px;\">: Outlet pressure is taken as maximum of all inlet streams pressure</span></li></ol><div><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\"><br></span></font></div><div><span style=\"font-size: 12px; orphans: auto; widows: auto;\">For examples on simulating mixer, go to&nbsp;</span><b style=\"font-size: 12px; orphans: auto; widows: auto;\"><i>Examples</i></b><span style=\"font-size: 12px; orphans: auto; widows: auto;\">&nbsp;&gt;&gt;&nbsp;</span><i style=\"font-size: 12px; orphans: auto; widows: auto;\"><b>Mixer</b></i></div><p style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13.3333px; orphans: 2; widows: 2;\"></p><br class=\"Apple-interchange-newline\"><!--EndFragment--></div></body></html>"));
+    end Mixer;
diff --git a/src/main/Simulator/Simulator/UnitOperations/PFR/Integral.mo b/src/main/Simulator/Simulator/UnitOperations/PFR/Integral.mo
new file mode 100644
index 0000000..bd03e89
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/PFR/Integral.mo
@@ -0,0 +1,31 @@
+within Simulator.UnitOperations.PFR;
+
+  function Integral
+    extends Modelica.Math.Nonlinear.Interfaces.partialScalarFunction;
+
+        input Integer Nc;
+        input Integer Nr;
+        input Integer Base_comp;
+        input Real Co_dummy[Nc - 1];
+        input Real DO_dummy[Nc - 1, Nr];
+        input Real X_dummy[Nc - 1];
+        input Real X;
+        input Integer Order;
+        input Real DO[Nc, Nr];
+        input Real Co[Nc];
+        input Real Sc[Nc, Nr];
+        input Real Bc[Nr];
+        input Real Fao;
+        input Real k;
+        Real Rate;
+      algorithm
+        Rate := 1;
+        for i in 2:Nc loop
+          if DO[Base_comp, 1] == 0 then
+            Rate := Rate * product((Co[i] + Sc[i, 1] / Bc[1] * Co[Base_comp] * u) ^ DO[i, 1]);
+          else
+            Rate := Rate * product((Co_dummy[i - 1] * (1 - X_dummy[i - 1])) ^ DO_dummy[i - 1, 1]);
+          end if;
+        end for;
+        y := Fao / (k * (Co[Base_comp] * (1 - u)) ^ DO[Base_comp, 1] * Rate);
+      end Integral;
diff --git a/src/main/Simulator/Simulator/UnitOperations/PFR/PFR.mo b/src/main/Simulator/Simulator/UnitOperations/PFR/PFR.mo
new file mode 100644
index 0000000..d8bcf59
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/PFR/PFR.mo
@@ -0,0 +1,432 @@
+within Simulator.UnitOperations.PFR;
+
+ model PFR         
+  
+  //=========================================================================
+  //Header Files and Parameters
+        extends Simulator.Files.Icons.PFR;
+        import Simulator.Files.*;
+        import Simulator.Files.ThermodynamicFunctions.*; 
+        parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+        parameter Integer Nc "Number of components ";
+        parameter Real Zv = 1 "Compressiblity factor";
+   
+        parameter Integer Nr "Number of reactions";
+        parameter String  Phase "Reaction phase: 1-Mixture, 2-Liquid, 3-Vapor";
+        parameter String  Mode "Mode of operation: 1-Isothermal, 2-Define Outlet Temperature, 3-Adiabatic";
+      parameter String  Basis "Reaction Basis : Molar Concentration,Mass Concentration,Molar Fractions,Mass Fraction";
+        parameter Real Tdef(unit = "K") "Outlet temperature when Mode = Define Outlet Temp";
+        parameter Real Pdel(unit = "Pa")  "Pressure Drop";
+        Integer Base_C  "Base component";
+  //=========================================================================
+  //Model Variables
+        Integer Phaseindex;
+        //Inlet Stream Variables
+        Real Tin(unit = "K", min = 0, start = Tg) "Inlet stream temperature";
+        Real Pin(unit = "Pa", min = 0, start = Pg) "Inlet stream pressure";
+        Real Fin_pc[3, Nc](each unit = "mol/s", each min = 0, start={Fg,Fliqg,Fvapg}) "Inlet stream components molar flow rate in phase";
+        Real Fin_p[3](each unit = "mol/s", each min = 0,start={Fg,Fliqg,Fvapg}) "Inlet stream molar flow rate in phase";
+        Real xin_pc[3, Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Inlet stream mole fraction";
+        Real Hin(unit = "kJ/kmol",start=Htotg) "Inlet stream enthalpy";
+        Real Sin(unit = "kJ/[kmol.K]") "Inlet stream entropy";
+        Real xvapin(unit = "-", min = 0, max = 1, start = xvapg) "Inlet stream vapor phase mole fraction";
+        Real Cin_c[Nc] "Inlet Concentration";
+        Real Fin_c[Nc](each min = 0, each start = Fg) "Inlet Mole Flow";
+        
+        //Outlet Stream variables
+        Real Tout(unit = "K", min = 0, start = Tg) "Outlet stream temperature";
+        Real Pout(unit = "Pa", min  = 0, start = Pg) "Outlet stream pressure";
+        Real Fout_p[3](each unit = "mol/s", each min = 0, start={Fg,Fliqg,Fvapg}) "Outlet stream molar flow rate";
+        Real Fout_pc[3, Nc](each unit = "mol/s", each min = 0, start={Fg,Fliqg,Fvapg}) "Outlet stream components molar flow rate";
+        Real xout_pc[3, Nc](each min = 0,start=xg) "Mole Fraction of Component in outlet stream";
+        Real Hout(unit = "kJ/kmol",start=Htotg) "Outlet stream molar enthalpy";
+        Real Sout(unit = "kJ/[kmol.K]") "Outlet stream molar entropy";
+        Real xvapout(unit = "-", min = 0, max = 1, start = xvapg) "Outlet stream vapor phase mole fraction";
+
+        Real MWout_p[3](each unit = "kg/kmol") "Outlset stream molecular weight in phase";
+        Real Fmin_p[3](each unit = "kg/s",start={Fg,Fliqg,Fvapg}) "Inlet stream mass flow rate";
+        Real xm_pc[3, Nc](each unit = "-",start=xg) "Component mass fraction in phase";
+        Real MW_p[3](each unit = "kg/kmol")"Molecular weight of phase";
+        Real Fv_p[3](start={Fg,Fliqg,Fvapg});
+        
+        //Phase and Total Densities
+        Real rholiq_c[Nc](each unit = "kg/m3") "Components density in liquid phase";
+        Real rholiq(unit = "kg/m3") "Liquid phase density";
+        Real rhovap_c[Nc](each unit = "kg/m3") "Components density in vapor phase";
+        Real rhovap(unit = "kg/m3") "Vapor phase density";
+        Real rho(unit = "kg/m3") "Mixture density";
+        
+        //Outlet    
+        Real Fout_c[Nc](each unit = "mol/s", each min = 0, each start = 100) "Outlet Mole Flow";      
+        Integer n "Order of the Reaction";
+        Real k_r[Nr] "Rate constant";
+        Real Hr(unit = "kJ/kmol") "Heat of Reaction";
+        Real Fin_cr[Nc, Nr](each unit = "mol/s") "Number of moles at initial state";
+        Real X_r[Nc](each unit = "-", each min = 0, each max = 1, start=xg) "Conversion of the components in reaction";
+        Real V(unit = "m3", min = 0) "Volume of the reactor";
+        Real tr(unit = "s")"Residence Time";
+        
+        Real Deln;
+        Real Foutv_p[3];
+        Real Ephsilon;
+        Real Cout_c[Nc];
+        
+        //Vapour Pressure at the inlet and outlet temperatures
+        Real Pvapin_c[Nc];
+        Real Pvapout_c[Nc];
+   
+       extends Simulator.Files.Models.ReactionManager.KineticReaction( Nr = 1,BC_r = {1}, Coef_cr = {{-1}, {-1}, {1}}, DO_cr = {{1}, {0}, {0}}, Af_r = {0.005}, Ef_r = {0});
+        //===========================================================================================================
+    //Instantiation of Connectors
+    Real Q "The total energy given out/taken in due to the reactions";
+    Real X_dummy[Nc-1];
+    Real Co_dummy[Nc-1];
+    Real DO_dummy[Nc-1,Nr];
+        
+      Simulator.Files.Interfaces.enConn En annotation(
+          Placement(visible = true, transformation(origin = {0, -98}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {0, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+      Files.Interfaces.matConn In(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {-348, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-348, 2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+      Files.Interfaces.matConn Out(Nc = Nc) annotation(
+      Placement(visible = true, transformation(origin = {350, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {350, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+//============================================================================================================
+      extends GuessModels.InitialGuess;
+     
+      equation
+//connector-Equations
+    In.P = Pin;
+    In.T = Tin;
+    In.F = Fin_p[1];
+    In.H = Hin;
+    In.S = Sin;
+    In.x_pc = xin_pc;
+    In.xvap = xvapin;
+        
+    Out.P = Pout;
+    Out.T = Tout;
+    Out.F = Fout_p[1];
+    Out.H = Hout;
+    Out.S = Sout;
+    Out.x_pc = xout_pc;
+    Out.xvap = xvapout;
+    En.Q = Q;
+    
+//Phase Equilibria
+//==========================================================================================================
+Base_C = BC_r[1];
+for i in 1:Nc loop
+   Pvapin_c[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, Tin);
+   Pvapout_c[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, Tout);
+ end for;  
+ 
+ if(Phase=="Mixture") then
+ Phaseindex=1;
+ elseif(Phase=="Liquid") then
+ Phaseindex=2;
+ else
+ Phaseindex=3;
+ end if;
+        
+//===========================================================================================================
+//Calculation of Mass Fraction
+//Average Molecular Weights of respective phases
+    if xvapin <= 0 then
+      MW_p[1] = sum(xin_pc[1, :] .* C[:].MW);
+      MW_p[2] = sum(xin_pc[2, :] .* C[:].MW);
+      MW_p[3] = 0;
+      Fmin_p[1] = Fin_p[1] * 1E-3 * MW_p[1];
+      Fmin_p[2] = Fin_p[2] * 1E-3 * MW_p[2];
+      Fmin_p[3] = 0;
+      xm_pc[1, :] = xin_pc[1, :] .* C[:].MW / MW_p[1];
+      xm_pc[2, :] = xin_pc[2, :] .* C[:].MW / MW_p[2];
+      for i in 1:Nc loop
+        xm_pc[3, i] = 0;
+      end for;
+//Liquid Phase Density
+ rholiq_c = ThermodynamicFunctions.DensityRacket(Nc,Tin,Pin,C[:].Pc,C[:].Tc,C[:].Racketparam,C[:].AF,C[:].MW,Pvapin_c[:]);
+ rholiq = 1 / sum(xm_pc[2, :] ./ rholiq_c[:]) / MW_p[2];
+//Vapour Phase Density
+ for i in 1:Nc loop
+  rhovap_c[i] = 0;
+  end for;
+      rhovap = 0;
+//Density of Inlet-Mixture
+      rho = 1 / ((1 - xvapin) / rholiq) * sum(xin_pc[1, :] .* C[:].MW);
+//====================================================================================================
+    elseif xvapin == 1 then
+      MW_p[1] = sum(xin_pc[1, :] .* C[:].MW);
+      MW_p[2] = 0;
+      MW_p[3] = sum(xin_pc[3, :] .* C[:].MW);
+      Fmin_p[1] = Fin_p[1] * 1E-3 * MW_p[1];
+      Fmin_p[2] = 0;
+      Fmin_p[3] = Fin_p[3] * 1E-3 * MW_p[3];
+      xm_pc[1, :] = xin_pc[1, :] .* C[:].MW / MW_p[1];
+      for i in 1:Nc loop
+        xm_pc[2, i] = 0;
+      end for;
+      xm_pc[3, :] = xin_pc[3, :] .* C[:].MW / MW_p[3];
+      
+//=========================================================================
+//Calculation of Phase Densities
+//Liquid Phase Density-Inlet Conditions
+      for i in 1:Nc loop
+        rholiq_c[i] = 0;
+      end for;
+      rholiq = 0;
+//Vapour Phase Density
+      for i in 1:Nc loop
+        rhovap_c[i] = Pin / (Zv * 8.314 * Tin) * C[i].MW * 1E-3;
+      end for;
+       rhovap = 1 / sum(xm_pc[3, :] ./ rhovap_c[:]) / MW_p[3];
+//Density of Inlet-Mixture
+       rho = 1 / (xvapin / rhovap) * sum(xin_pc[1, :] .* C[:].MW);
+    else
+      MW_p[1] = sum(xin_pc[1, :] .* C[:].MW);
+      MW_p[2] = sum(xin_pc[2, :] .* C[:].MW);
+      MW_p[3] = sum(xin_pc[3, :] .* C[:].MW);
+      Fmin_p[1] = Fin_p[1] * 1E-3 * MW_p[1];
+      Fmin_p[2] = Fin_p[2] * 1E-3 * MW_p[2];
+      Fmin_p[3] = Fin_p[3] * 1E-3 * MW_p[3];
+      xm_pc[1, :] = xin_pc[1, :] .* C[:].MW / MW_p[1];
+      xm_pc[2, :] = xin_pc[2, :] .* C[:].MW / MW_p[2];
+      xm_pc[3, :] = xin_pc[3, :] .* C[:].MW / MW_p[3];
+      
+  //=========================================================================
+//Calculation of Phase Densities
+//Liquid Phase Density-Inlet Conditions
+      rholiq_c = ThermodynamicFunctions.DensityRacket(Nc, Tin, Pin, C[:].Pc, C[:].Tc, C[:].Racketparam, C[:].AF, C[:].MW, Pvapin_c[:]);
+      rholiq = 1 / sum(xm_pc[2, :] ./ rholiq_c[:]) / MW_p[2];
+//Vapour Phase Density
+      for i in 1:Nc loop
+        rhovap_c[i] = Pin / (Zv * 8.314 * Tin) * C[i].MW * 1E-3;
+      end for;
+      rhovap = 1 / sum(xm_pc[3, :] ./ rhovap_c[:]) / MW_p[3];
+//Density of Inlet-Mixture
+      rho = 1 / (xvapin / rhovap + (1 - xvapin) / rholiq) * sum(xin_pc[1, :] .* C[:].MW);
+    end if;
+//=====================================================================================================
+//Phase Flow Rates
+//Phase Molar Flow Rates
+    Fin_p[3] = Fin_p[1] * xvapin;
+    Fin_p[2] = Fin_p[1] * (1 - xvapin);
+//Cin_cnent Molar Flow Rates in Phases
+    Fin_pc[1, :] = Fin_p[1] .* xin_pc[1, :];
+    Fin_pc[2, :] = Fin_p[2] .* xin_pc[2, :];
+    Fin_pc[3, :] = Fin_p[3] .* xin_pc[3, :];
+//======================================================================================================
+//Phase Volumetric flow rates
+    if Phase == "Mixture" then
+      Fv_p[1] = Fmin_p[1] / rho;
+      Fv_p[2] = Fmin_p[2] / (rholiq * MW_p[2]);
+      Fv_p[3] = Fmin_p[3] / (rhovap * MW_p[3]);
+    elseif Phase == "Liquid" then
+      Fv_p[1] = Fmin_p[1] / rho;
+      Fv_p[2] = Fmin_p[2] / (rholiq * MW_p[2]);
+      Fv_p[3] = 0;
+    else
+      Fv_p[1] = Fmin_p[1] / rho;
+      Fv_p[2] = 0;
+      Fv_p[3] = Fmin_p[3] / (rhovap * MW_p[3]);
+    end if;
+
+//=================================================================================
+//Inlet concentration
+    if Phase == "Mixture" then
+      if(Basis =="Molar Concentration") then
+      Cin_c[:] = Fin_pc[Phaseindex, :] / Fv_p[Phaseindex];
+      else
+      Cin_c[:] = Fin_pc[1, :] / Fv_p[1] * MW_p[2] / rholiq;
+      end if;
+      for i in 1:Nc loop
+        if i == Base_C then
+          Fin_c[i] = Fin_pc[1, i];
+          Fout_c[i] = Fin_cr[i, 1] * Fin_c[i] + Coef_cr[i, 1] / BC_r[1] * X_r[Base_C] * Fin_c[Base_C];
+        else
+          Fin_c[i] = Fin_pc[1, i];
+          Fout_c[i] = Fin_cr[i, 1] * Fin_c[i] + Coef_cr[i, 1] / BC_r[1] * X_r[Base_C] * Fin_pc[1, Base_C];
+        end if;
+      end for;
+//Conversion of Reactants
+      for j in 2:Nc loop
+        if Coef_cr[j, 1] < 0 then
+          X_r[j] = (Fin_pc[Phaseindex, j] - Fout_c[j]) / Fin_pc[Phaseindex, j];
+        else
+          X_r[j] = 0;
+        end if;
+      end for;
+//=========================================================================================
+//Liquid-Phase
+    elseif Phase == "Liquid" then
+    //Molar Concentration
+      if(Basis =="Molar Concentration") then
+      Cin_c[:] = Fin_pc[2, :] / Fv_p[2];
+   //Molar Fractions   
+      elseif(Basis =="Molar Fractions") then
+      Cin_c[:] = Fin_pc[2, :] / Fv_p[2] * MW_p[2]/rholiq;
+   //Mass Concentration
+      elseif(Basis=="Mass Concentration") then
+      Cin_c[:] = Fin_pc[2, :] / Fv_p[2] * 1000 / MW_p[2];
+    //Mass Fractions  
+      else
+      Cin_c[:] = Fin_pc[2, :] / Fv_p[2] * rholiq * 1000 / MW_p[2];
+      end if;
+      
+      for i in 1:Nc loop
+        if i == Base_C then
+          Fin_c[i] = Fin_pc[2, i];
+          Fout_c[i] = Fin_c[i] + Coef_cr[i, 1] / BC_r[1] * X_r[Base_C] * Fin_c[Base_C];
+        else
+          Fin_c[i] = Fin_pc[1, i];
+          Fout_c[i] = Fin_c[i] + Coef_cr[i, 1] / BC_r[1] * X_r[Base_C] * Fin_c[Base_C];
+        end if;
+      end for;
+//Cin_cnversion of Reactants
+      for j in 2:Nc loop
+        if Coef_cr[j, 1] < 0 then
+          X_r[j] = (Fin_pc[Phaseindex, j] - Fout_pc[Phaseindex, j]) / Fin_pc[Phaseindex, j];
+        else
+          X_r[j] = 0;
+        end if;
+      end for;
+    else
+//Vapour Phase
+//======================================================================================================
+   if(Basis=="Molar Concentration") then
+   //Molar Concentration
+      Cin_c[:] = Fin_pc[Phaseindex, :] / Fv_p[Phaseindex];
+   //Molar Fractions   
+   elseif(Basis=="Molar Fractions") then
+      Cin_c[:] = Fin_pc[Phaseindex, :] / Fv_p[Phaseindex] * Zv * 8.314 * Tin / Pin;
+   //Mass Concentration   
+    elseif(Basis=="Mass Concentration") then
+     Cin_c[:] = Fin_pc[Phaseindex, :] / Fv_p[Phaseindex] * 1000 / MW_p[3];
+    else  
+   //Mass Fractions 
+     Cin_c[:] = Fin_pc[Phaseindex, :] / Fv_p[Phaseindex] * Zv * 8.314 * Tin / Pin * 1000 / MW_p[3];
+    end if; 
+//=======================================================================================================         
+      for i in 1:Nc loop
+        if i == Base_C then
+          Fin_c[i] = Fin_pc[3, i];
+          Fout_c[i] = Fin_c[i] + Coef_cr[i, 1] / BC_r[1] * X_r[Base_C] * Fin_c[Base_C];
+        else
+          Fin_c[i] = Fin_pc[1, i];
+          Fout_c[i] = Fin_c[i] + Coef_cr[i, 1] / BC_r[1] * X_r[Base_C] * Fin_c[Base_C];
+        end if;
+      end for;
+//Cin_cnversion of Reactants
+      for j in 2:Nc loop
+        if Coef_cr[j, 1] < 0 then
+          X_r[j] = (Fin_pc[Phaseindex, j] - Fout_pc[Phaseindex, j]) / Fin_pc[Phaseindex, j];
+        else
+          X_r[j] = 0;
+        end if;
+      end for;
+    end if;
+//================================================================================================
+//Reaction Manager
+    n = sum(DO_cr[:]);
+//Calculation of Rate Cin_cnstants
+    for i in 1:Nr loop
+        k_r[i] = Simulator.Files.Models.ReactionManager.Arhenious(Nr, Af_r[i], Ef_r[i], Tin);
+    end for;
+//Material Balance
+//Initial Number of Moles
+    for i in 1:Nr loop
+      for j in 1:Nc loop
+        if Coef_cr[j, i] > 0 then
+          Coef_cr[j, i] = Fin_cr[j, i];
+        else
+          Coef_cr[j, i] = -Fin_cr[j, i];
+        end if;
+      end for;
+    end for;
+//Calculation of V with respect to Cin_cnversion of limiting reeactant
+//    V = PerformancePFR(n, Cin_c[Base_C], Fin_c[Base_C], k_r[1], X_r[Base_C]);
+ V = PFR.PerformancePFR(Nc, Nr, n, Base_C, Co_dummy, DO_dummy, X_dummy, DO_cr, Cin_c, Coef_cr, BC_r, Fin_c[Base_C], k_r[1], X_r[Base_C]);
+ 
+  tr = V / Fv_p[1];
+//============================================================================================================
+//Calculation of Heat of Reaction at the reaction temperature
+//Outlet temperature and energy stream
+//Isothermal Mode
+    if Mode == "Isothermal" then
+      Hr = Hr_r[1] * 1E-3 * Fin_c[Base_C] * X_r[Base_C];
+      Tout = Tin;
+      Q = Hr - Hin / MW_p[1] * Fmin_p[1] + Hout / MWout_p[1] * Fmin_p[1];
+//Outlet temperature defined
+    elseif Mode == "Define Outlet Temperature" then
+      Hr = Hr_r[1] * 1E-3 * Fin_c[Base_C] * X_r[Base_C];
+      Tout = Tdef;
+      Q = Hr - Hin / MW_p[1] * Fmin_p[1] + Hout / MWout_p[1] * Fmin_p[1];
+//Adiabatic Mode
+    else
+      Hr = Hr_r[1] * 1E-3 * Fin_c[Base_C] * X_r[Base_C];
+      Q = 0;
+      Q = Hr - Hin / MW_p[1] * Fmin_p[1] + Hout / MWout_p[1] * Fmin_p[1];
+    end if;
+//===========================================================================================================
+//Calculation of Outlet Pressure
+    Pout = Pin - Pdel;
+//Calculation of Mole Fraction of outlet stream
+    xout_pc[1, :] = Fout_c[:] / Fout_p[1];
+        sum(Fout_c[:]) = Fout_p[1];
+//===========================================================================================================
+       Fout_p[3] = Fout_p[1] * xvapout;
+       Fout_p[2] = Fout_p[1] * (1 - xvapout);
+//===========================================================================================================
+//Calculation of Mass Fraction
+//Average Molecular Weights of respective phases
+    if xvapout <= 0 then
+      MWout_p[1] = sum(xout_pc[1, :] .* C[:].MW);
+      MWout_p[2] = sum(xout_pc[2, :] .* C[:].MW);
+      MWout_p[3] = 0;
+//====================================================================================================
+    elseif xvapout == 1 then
+      MWout_p[1] = sum(xout_pc[1, :] .* C[:].MW);
+      MWout_p[2] = 0;
+      MWout_p[3] = sum(xout_pc[3, :] .* C[:].MW);
+    else
+      MWout_p[1] = sum(xout_pc[1, :] .* C[:].MW);
+      MWout_p[2] = sum(xout_pc[2, :] .* C[:].MW);
+      MWout_p[3] = sum(xout_pc[3, :] .* C[:].MW);
+    end if;
+//=====================================================================================================
+//Component Molar Flow Rates in Phases
+    Fout_pc[1, :] = Fout_p[1] .* xout_pc[1, :];
+    Fout_pc[2, :] = Fout_p[2] .* xout_pc[2, :];
+    Fout_pc[3, :] = Fout_p[3] .* xout_pc[3, :];
+//==================================================================================================
+  
+   for i in 2:Nc loop
+    X_dummy[i-1]    =  X_r[i];
+    Co_dummy[i-1]   =  Cin_c[i];
+    DO_dummy[i-1,1] =  DO_cr[i,1];
+   end for;
+
+//Change in conversion with change in temperature of the reactor
+      Deln = sum(Coef_cr[:, :]);
+      for i in 1:Nr loop
+        Ephsilon = Deln / Fin_cr[Base_C, i] * xin_pc[1, Base_C];
+      end for;
+      if Phase == "Vapour" then
+        Foutv_p[2] = Fv_p[2];
+        Foutv_p[1] = Foutv_p[3];
+        Foutv_p[3] = Fv_p[3] * (1 + Ephsilon * X_r[Base_C]) * (Pin / Pout) * (Tout / Tin);
+        Cout_c[:] = Fout_pc[3, :] /Foutv_p[3];
+      elseif Phase == "Liquid" then
+        Foutv_p[2] = Fv_p[2];
+        Foutv_p[1] = Foutv_p[3];
+        Foutv_p[3] = Fv_p[3] * (1 + Ephsilon * X_r[Base_C]) * (Pin / Pout) * (Tout / Tin);
+        Cout_c[:] = Fout_pc[2, :] / Foutv_p[2];
+      else
+        Foutv_p[2] = Fv_p[2];
+        Foutv_p[1] = Foutv_p[3];
+        Foutv_p[3] = Fv_p[3] * (1 + Ephsilon * X_r[Base_C]) * (Pin / Pout) * (Tout / Tin);
+        Cout_c[:] = Fout_pc[1, :] / Foutv_p[1];
+      end if;
+  
+  annotation(Icon(coordinateSystem(extent = {{-350, -100}, {350, 100}})),
+      Diagram(coordinateSystem(extent = {{-350, -100}, {350, 100}})),
+      __OpenModelica_Cin_cmmandLineOptions = "");
+  end PFR;
diff --git a/src/main/Simulator/Simulator/UnitOperations/PFR/PerformancePFR.mo b/src/main/Simulator/Simulator/UnitOperations/PFR/PerformancePFR.mo
new file mode 100644
index 0000000..b1deb43
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/PFR/PerformancePFR.mo
@@ -0,0 +1,22 @@
+within Simulator.UnitOperations.PFR;
+
+ function PerformancePFR
+ extends Modelica.Icons.Function;
+    input Integer Nc;
+        input Integer Nr;
+        input Integer Order;
+        input Integer Base_comp;
+        input Real Co_dummy[Nc - 1];
+        input Real DO_dummy[Nc - 1, Nr];
+        input Real X_dummy[Nc - 1];
+        input Real DO[Nc, Nr];
+        input Real C[Nc];
+        input Real Sc[Nc, Nr];
+        input Real Bc[Nr];
+        input Real F;
+        input Real k;
+        input Real X;
+        output Real V;
+      algorithm
+        V := Modelica.Math.Nonlinear.quadratureLobatto(function Integral(Nc = Nc, Nr = Nr, Order = Order, Base_comp = Base_comp, Co_dummy = Co_dummy, DO_dummy = DO_dummy, X_dummy = X_dummy, DO = DO, Co = C, Sc = Sc, Bc = Bc, Fao = F, k = k, X = X), 0, X);
+      end PerformancePFR;
diff --git a/src/main/Simulator/Simulator/UnitOperations/PFR/package.mo b/src/main/Simulator/Simulator/UnitOperations/PFR/package.mo
new file mode 100644
index 0000000..d057566
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/PFR/package.mo
@@ -0,0 +1,5 @@
+within Simulator.UnitOperations;
+
+package PFR
+  extends Modelica.Icons.Package;  
+end PFR;
diff --git a/src/main/Simulator/Simulator/UnitOperations/PFR/package.order b/src/main/Simulator/Simulator/UnitOperations/PFR/package.order
new file mode 100644
index 0000000..e6992a1
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/PFR/package.order
@@ -0,0 +1,3 @@
+PFR
+Integral
+PerformancePFR
diff --git a/src/main/Simulator/Simulator/UnitOperations/RecycleBlock.mo b/src/main/Simulator/Simulator/UnitOperations/RecycleBlock.mo
new file mode 100644
index 0000000..6957b2d
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/RecycleBlock.mo
@@ -0,0 +1,43 @@
+within Simulator.UnitOperations;
+model RecycleBlock 
+  extends Simulator.Files.Icons.Mixer;
+//========================================================================================
+      Real Fin(start = Fg) "inlet mixture molar flow rate";
+      Real Fout(start = Fg) "outlet mixture molar flow rate";
+      Real Pin(start = Pg) "Inlet pressure";
+      Real Pout(start = Pg) "Outlet pressure";
+      Real Tin(start = Tg) "Inlet Temperature";
+      Real Tout(start = Tg) "Outlet Temperature";
+      //========================================================================================
+      Real xin_c[Nc](each min = 0, each max = 1, start = xguess) "mixture mole fraction";
+      Real xout_c[Nc](each min = 0, each max = 1, start = xguess);
+      parameter Integer Nc "number of components";
+      parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+      //========================================================================================
+      Simulator.Files.Interfaces.matConn inlet(Nc = Nc) annotation(
+        Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+      Simulator.Files.Interfaces.matConn outlet(Nc = Nc) annotation(
+        Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, -2}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+      //=========================================================================================
+      extends Simulator.GuessModels.InitialGuess;
+    equation
+//connector equations
+      inlet.P = Pin;
+      inlet.T = Tin;
+      inlet.Fmol = Fin;
+      inlet.xfrac[1, :] = xin_c[:];
+      outlet.P = Pout;
+      outlet.T = Tout;
+      outlet.Fmol = Fout;
+      outlet.xfrac[1, :] = xout_c[:];
+//=============================================================================================
+      Fin = Fout;
+//material balance
+      xin_c = xout_c;
+//energy balance
+      Pin = Pout;
+//pressure calculation
+      Tin = Tout;
+//temperature calculation
+  
+    end RecycleBlock;
diff --git a/src/main/Simulator/Simulator/UnitOperations/ShortcutColumn.mo b/src/main/Simulator/Simulator/UnitOperations/ShortcutColumn.mo
new file mode 100644
index 0000000..3bdfd36
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/ShortcutColumn.mo
@@ -0,0 +1,222 @@
+within Simulator.UnitOperations;
+
+model ShortcutColumn "Model of a shortcut column to calculate minimum reflux in a distillation column"
+
+//==============================================================================
+  //Header Files and Parameters
+  extends Simulator.Files.Icons.DistillationColumn;
+  import data = Simulator.Files.ChemsepDatabase;
+  parameter data.GeneralProperties C[Nc];
+  parameter Integer Nc "Number of components";
+  parameter Integer HKey "Heavy Key component";
+  parameter Integer LKey "Light Key component";
+  parameter String Ctype = "Total" "Condenser type: Total or Partial";
+  //==============================================================================
+  //Model Variables
+  Real F_p[3](each unit = "mol/s", each min = 0, each start = Fg) "Inlet stream molar flow";
+  Real x_pc[3, Nc](each unit = "-",  start = {xguess,xg,yg}, each min = 0, each max = 1) "Inlet stream mole fraction";
+  Real H_p[3](each unit = "kJ/kmol",start={Htotg,Hliqg,Hvapg}) "Inlet stream molar enthalpy ";
+  Real S_p[3](each unit = "kJ/[kmol.K]") "Inlet stream molar entropy";
+  Real Pin(unit = "Pa", min = 0, start = Pg) "Inlet stream pressure";
+  Real Tin(unit = "K", min = 0, start = Tg)"Inlet stream temperature";
+  Real xin_pc[3, Nc](each unit = "-", each min = 0, each max = 1, start={xguess,xg,yg}) "Inlet stream components mole fraction";
+  
+  Real Ntmin(unit = "-", min = 0, start = 10) "Minimum Number of trays";
+  Real RRmin(unit = "-", start = 1) "Minimum Reflux Ratio";
+  Real alpha_c[Nc](unit = "-") "Relative Volatility";
+  Real theta(unit = "-", start = 1) "Fraction";
+  Real T(start=Tg) "Thermodynamic Adjustment", P(start=Pg) "Thermodynamic Adjustment";
+  Real Tcond(unit = "K", start = max(C[:].Tb), min = 0)"Condenser temperature";
+  Real Pcond(unit = "Pa", min = 0, start = 101325) "Condenser pressure";
+  Real Preb(unit = "Pa", min = 0, start = 101325)"Reboiler pressure";
+  Real Treb(unit = "K", start = min(C[:].Tb), min = 0) "Reboiler temperature";
+  Real xvap_p[3](each unit = "-", each min = 0, each max = 1, each start = xvapg) "Vapor Phase Mole Fraction";
+  Real Hliqcond(unit = "kJ/kmol",start=Hliqg) "Enthalpy of liquid in condenser";
+  Real Hvapcond(unit = "kJ/kmol",start=Hvapg) "Enthalpy of vapor in condenser";
+  Real Hvapcond_c[Nc](each unit = "kJ/kmol") "Component enthalpy of vapor in condenser";
+  Real Hliqcond_c[Nc](each unit = "kJ/kmol") "Component enthalpy of vapor in condenser";
+  Real xliqcond_c[Nc](each unit = "-", each min = 0, each max = 1,  start = xg)"Component mole fraction in liquid phase in condenser";
+  Real xvapcond_c[Nc](each unit = "-", each min = 0, each max = 1,  start = yg)"Component mole fraction in vapor phase in condenser";
+  
+  Real Pdew(unit = "Pa", min = 0, start = Pmax)"Dew point pressure";
+  Real Pbubl(unit = "Pa", min = 0, start = Pmin)"Bubble point pressure";
+  Real RR "Actual Reflux Ratio";
+  Real Nt "Actual Number of Trays";
+  Real x "Intermediate variable";
+  Real y "Intermediate variable";
+  Real Intray "Feed Tray";
+  Real Fliqrec(unit = "mol/s", min = 0, start = Fg) "Liquid molar flow in rectification section";
+  Real Fvaprec(unit = "mol/s", min = 0, start = Fg)"Vapor molar flow in rectification section";
+  Real Fliqstrip(unit = "mol/s", min = 0, start = Fg) "Liquid molar flow in stripping section";
+  Real Fvapstrip(unit = "mol/s", min = 0, start = Fg)"Vapor molar flow in stripping section";
+  Real Qr(unit = "W") "Reboiler Duty";
+  Real Qc(unit = "W") "Condenser Duty";
+
+//==============================================================================
+  //Instantiation of Connections
+  Simulator.Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-250, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-250, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out1(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {250, 336}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {250, 300}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out2(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {250, -266}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {250, -300}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.enConn En1 annotation(
+    Placement(visible = true, transformation(origin = {248, 594}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {250, 600}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.enConn En2 annotation(
+    Placement(visible = true, transformation(origin = {254, -592}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {250, -600}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+
+  extends GuessModels.InitialGuess;
+equation
+//==============================================================================
+// Connector equations
+  In.P = Pin;
+  In.T = Tin;
+  In.F = F_p[1];
+  In.x_pc[1, :] = x_pc[1, :];
+  In.H = H_p[1];
+  In.S = S_p[1];
+  In.xvap = xvap_p[1];
+  Out2.P = Preb;
+  Out2.T = Treb;
+  Out2.F = F_p[2];
+  Out2.x_pc[1, :] = x_pc[2, :];
+  Out2.H = H_p[2];
+  Out2.S = S_p[2];
+  Out2.xvap = xvap_p[2];
+  Out1.P = Pcond;
+  Out1.T = Tcond;
+  Out1.F = F_p[3];
+  Out1.x_pc[1, :] = x_pc[3, :];
+  Out1.H = H_p[3];
+  Out1.S = S_p[3];
+  Out1.xvap = xvap_p[3];
+  En2.Q = Qr;
+  En1.Q = Qc;
+//==============================================================================
+//Adjustment for thermodynamic packages
+  xin_pc[1, :] = x_pc[1, :];
+  xin_pc[2, :] = xin_pc[1, :] ./ (1 .+ xvap_p[1] .* (K_c[:] .- 1));
+  for i in 1:Nc loop
+    xin_pc[3, i] = K_c[i] * xin_pc[2, i];
+  end for;
+  T = Tin;
+  P = Pin;
+//==============================================================================
+//Bubble point calculation
+  Pbubl = sum(gmabubl_c[:] .* xin_pc[1, :] .* exp(C[:].VP[2] + C[:].VP[3] / Tin + C[:].VP[4] * log(Tin) + C[:].VP[5] .* Tin .^ C[:].VP[6]) ./ philiqbubl_c[:]);
+//==============================================================================
+//Dew point calculation
+  Pdew = 1 / sum(xin_pc[1, :] ./ (gmadew_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / Tin + C[:].VP[4] * log(Tin) + C[:].VP[5] .* Tin .^ C[:].VP[6])) .* phivapdew_c[:]);
+  for i in 1:Nc loop
+    if x_pc[1, i] == 0 then
+      x_pc[3, i] = 0;
+    else
+      F_p[1] .* x_pc[1, i] = F_p[2] .* x_pc[2, i] + F_p[3] .* x_pc[3, i];
+    end if;
+  end for;
+  sum(x_pc[3, :]) = 1;
+  sum(x_pc[2, :]) = 1;
+//==============================================================================
+//Distillate and Bottom composition
+  for i in 1:Nc loop
+    if i <> HKey then
+      if Ctype == "Total" then
+        x_pc[3, i] / x_pc[3, HKey] = alpha_c[i] ^ Ntmin * (x_pc[2, i] / x_pc[2, HKey]);
+      elseif Ctype == "Partial" then
+        x_pc[3, i] / x_pc[3, HKey] = alpha_c[i] ^ (Ntmin + 1) * (x_pc[2, i] / x_pc[2, HKey]);
+      end if;
+    end if;
+  end for;
+//==============================================================================
+//Relative Volatility
+  alpha_c[:] = K_c[:] / K_c[HKey];
+//==============================================================================
+//Calculation of temperature at Distillate and Bottoms
+  if Tcond <= 0 and Treb <= 0 then
+    if Ctype == "Partial" then
+      1 / Pcond = sum(x_pc[3, :] ./ (gma_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / 1 + C[:].VP[4] * 1 + C[:].VP[5] .* Tcond .^ C[:].VP[6])));
+      Preb = sum(gma_c[:] .* x_pc[2, :] .* exp(C[:].VP[2] + C[:].VP[3] / 1 + C[:].VP[4] * 1 + C[:].VP[5] .* Treb .^ C[:].VP[6]));
+    elseif Ctype == "Total" then
+      Pcond = sum(gma_c[:] .* x_pc[3, :] .* exp(C[:].VP[2] + C[:].VP[3] / 1 + C[:].VP[4] * 1 + C[:].VP[5] .* Tcond .^ C[:].VP[6]));
+      Preb = sum(gma_c[:] .* x_pc[2, :] .* exp(C[:].VP[2] + C[:].VP[3] / 1 + C[:].VP[4] * 1 + C[:].VP[5] .* Treb .^ C[:].VP[6]));
+    end if;
+//==============================================================================
+  elseif Tcond <= 0 then
+    if Ctype == "Partial" then
+      1 / Pcond = sum(x_pc[3, :] ./ (gma_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / 1 + C[:].VP[4] * 1 + C[:].VP[5] .* Tcond .^ C[:].VP[6])));
+      Preb = sum(gma_c[:] .* x_pc[2, :] .* exp(C[:].VP[2] + C[:].VP[3] / Treb + C[:].VP[4] * log(Treb) + C[:].VP[5] .* Treb .^ C[:].VP[6]));
+    elseif Ctype == "Total" then
+      Pcond = sum(gma_c[:] .* x_pc[3, :] .* exp(C[:].VP[2] + C[:].VP[3] / 1 + C[:].VP[4] * 1 + C[:].VP[5] .* Tcond .^ C[:].VP[6]));
+      Preb = sum(gma_c[:] .* x_pc[2, :] .* exp(C[:].VP[2] + C[:].VP[3] / Treb + C[:].VP[4] * log(Treb) + C[:].VP[5] .* Treb .^ C[:].VP[6]));
+    end if;
+//==============================================================================
+  elseif Treb <= 0 then
+    if Ctype == "Partial" then
+      1 / Pcond = sum(x_pc[3, :] ./ (gma_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / Tcond + C[:].VP[4] * log(Tcond) + C[:].VP[5] .* Tcond .^ C[:].VP[6])));
+      Preb = sum(gma_c[:] .* x_pc[2, :] .* exp(C[:].VP[2] + C[:].VP[3] / 1 + C[:].VP[4] * 1 + C[:].VP[5] .* Treb .^ C[:].VP[6]));
+    elseif Ctype == "Total" then
+      Pcond = sum(gma_c[:] .* x_pc[3, :] .* exp(C[:].VP[2] + C[:].VP[3] / Tcond + C[:].VP[4] * log(Tcond) + C[:].VP[5] .* Tcond .^ C[:].VP[6]));
+      Preb = sum(gma_c[:] .* x_pc[2, :] .* exp(C[:].VP[2] + C[:].VP[3] / 1 + C[:].VP[4] * 1 + C[:].VP[5] .* Treb .^ C[:].VP[6]));
+    end if;
+//==============================================================================
+  else
+    if Ctype == "Partial" then
+      1 / Pcond = sum(x_pc[3, :] ./ (gma_c[:] .* exp(C[:].VP[2] + C[:].VP[3] / Tcond + C[:].VP[4] * log(Tcond) + C[:].VP[5] .* Tcond .^ C[:].VP[6])));
+      Preb = sum(gma_c[:] .* x_pc[2, :] .* exp(C[:].VP[2] + C[:].VP[3] / Treb + C[:].VP[4] * log(Treb) + C[:].VP[5] .* Treb .^ C[:].VP[6]));
+    elseif Ctype == "Total" then
+      Pcond = sum(gma_c[:] .* x_pc[3, :] .* exp(C[:].VP[2] + C[:].VP[3] / Tcond + C[:].VP[4] * log(Tcond) + C[:].VP[5] .* Tcond .^ C[:].VP[6]));
+      Preb = sum(gma_c[:] .* x_pc[2, :] .* exp(C[:].VP[2] + C[:].VP[3] / Treb + C[:].VP[4] * log(Treb) + C[:].VP[5] .* Treb .^ C[:].VP[6]));
+    end if;
+  end if;
+//==============================================================================
+//Minimum Reflux, Underwoods method
+  if theta > alpha_c[LKey] or theta < alpha_c[HKey] then
+    0 = sum(alpha_c[:] .* x_pc[1, :] ./ (alpha_c[:] .- theta));
+  else
+    xvap_p[1] = sum(alpha_c[:] .* x_pc[1, :] ./ (alpha_c[:] .- theta));
+  end if;
+  RRmin + 1 = sum(alpha_c[:] .* x_pc[3, :] ./ (alpha_c[:] .- theta));
+//==============================================================================
+//Actual number of trays,Gillilands method
+  x = (RR - RRmin) / (RR + 1);
+  y = (Nt - Ntmin) / (Nt + 1);
+  if x >= 0 then
+    y = 0.75 * (1 - x ^ 0.5668);
+  else
+    y = -1;
+  end if;
+//==============================================================================
+// Feed location, Fenske equation
+  Intray = Nt / Ntmin * log(x_pc[1, LKey] / x_pc[1, HKey] * (x_pc[2, HKey] / x_pc[2, LKey])) / log(K_c[LKey] / K_c[HKey]);
+//==============================================================================
+//Rectifying and Stripping flows Calculation
+  Fliqrec = RR * F_p[3];
+  Fliqstrip = (1 - xvap_p[1]) * F_p[1] + Fliqrec;
+  Fvapstrip = Fliqstrip - F_p[2];
+  Fvaprec = xvap_p[1] * F_p[1] + Fvapstrip;
+  for i in 1:Nc loop
+    Hvapcond_c[i] = Simulator.Files.ThermodynamicFunctions.HVapId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, Tcond);
+    Hliqcond_c[i] = Simulator.Files.ThermodynamicFunctions.HLiqId(C[i].SH, C[i].VapCp, C[i].HOV, C[i].Tc, Tcond);
+  end for;
+  if Ctype == "Total" then
+    Hliqcond = H_p[3];
+  elseif Ctype == "Partial" then
+    Hliqcond = sum(xliqcond_c[:] .* Hliqcond_c[:]);
+  end if;
+  Hvapcond = sum(xvapcond_c[:] .* Hvapcond_c[:]);
+  Fvaprec .* xvapcond_c[:] = Fliqrec .* xliqcond_c[:] + F_p[3] .* x_pc[3, :];
+  if Ctype == "Partial" then
+    x_pc[3, :] = K[:] .* xliqcond_c[:];
+  elseif Ctype == "Total" then
+    x_pc[3, :] = xliqcond_c[:];
+  end if;
+//==============================================================================
+//Energy Balance
+  F_p[1] * H_p[1] + Qr - Qc = F_p[2] * H_p[2] + F_p[3] * H_p[3];
+  Fvaprec * Hvapcond = Qc + F_p[3] * H_p[3] + Fliqrec * Hliqcond;
+annotation(
+    Icon(coordinateSystem(extent = {{-250, -600}, {250, 600}})),
+    Diagram(coordinateSystem(extent = {{-250, -600}, {250, 600}})),
+    __OpenModelica_commandLineOptions = "",
+  Documentation(info = "<html><head></head><body><!--StartFragment--><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13.3333px; orphans: 2; widows: 2;\">The shortcut column is used to calculate the minimum reflux in a distillation column by Fenske-Underwood-Gilliland (FUG) method.&nbsp;</span><div><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13.3333px; orphans: 2; widows: 2;\"><br></span></div><div><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13.3333px; orphans: 2; widows: 2;\">The column should have following inputs:</span></div><div><ol><li><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13.3333px; orphans: 2; widows: 2;\">a single feed stage</span></li><li><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13.3333px; orphans: 2; widows: 2;\">two products (top and bottom)</span></li><li><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13.3333px; orphans: 2; widows: 2;\">condenser (total or partial)</span></li><li><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13.3333px; orphans: 2; widows: 2;\">reboiler</span></li></ol><div style=\"orphans: 2; widows: 2;\"><div><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">The results are:</span></font></div><div><ol><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Minumum Reflux Ratio</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Actual Reflux Ratio</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Total Number of Stages</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Feed Stage</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Condenser and Reboiler Duty</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Liquid and Vapor flows in Rectification and Stripping section</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Pressure and Temperature of Condenser and Reboiler</span></font></li></ol><div><br></div></div></div><div style=\"orphans: 2; widows: 2;\"><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">To simulate a shortcut column, following calculation parameters must be provided:</span></font></div><div style=\"orphans: 2; widows: 2;\"><ol><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Condenser Type</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">High Key Component</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Low Key Component</span></font></li></ol></div><div style=\"orphans: 2; widows: 2;\"><span style=\"font-family: Arial, Helvetica, sans-serif; font-size: 13px;\">Additionally, following input for following variables must be provided:</span></div><div style=\"orphans: 2; widows: 2;\"><ol><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Reflux Ratio</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Heavy Key Component Mole Fraction in Distillate</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Light Key Component Mole Fraction in Bottoms</span></font></li><li><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">Condenser and Reboiler Pressure</span></font></li></ol></div><div style=\"orphans: 2; widows: 2;\"><div><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\"><br></span></font></div><div><font face=\"Arial, Helvetica, sans-serif\"><span style=\"font-size: 13px;\">For example on simulating a Shortcut Column, go to <i><b>Examples</b></i> &gt;&gt; <i><b>ShortcutColumn</b></i></span></font></div></div><!--EndFragment--></div></body></html>"));
+  end ShortcutColumn;
diff --git a/src/main/Simulator/Simulator/UnitOperations/Splitter.mo b/src/main/Simulator/Simulator/UnitOperations/Splitter.mo
new file mode 100644
index 0000000..9871ea7
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/Splitter.mo
@@ -0,0 +1,76 @@
+within Simulator.UnitOperations;
+
+model Splitter
+//============================================================================
+//Header Files and Parameters
+  extends Simulator.Files.Icons.Splitter;
+  parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+  parameter Integer Nc = 3 "Number of Components", No = 2 "Number of outlet streams";
+  parameter String CalcType "Split_Ratio, Mass_Flow or Molar_Flow";
+  
+//=============================================================================
+//Model Variables
+  Real Pin(min = 0, start = Pg) "Inlet pressure";
+  Real Tin(min = 0, start = Tg) "Inlet Temperature";
+  Real xin_c[Nc](each min = 0, each max = 1,  start =xg) "Inlet Mixture Mole Fraction";
+  Real Fin(min = 0, start = Fg) "Inlet Mixture Molar Flow";
+  
+  Real SplRat_s[No](each min = 0, each max = 1) "Split ratio";
+  Real MW(each min = 0) "Average molecular weight";
+  Real SpecVal_s[No] "Specification value"; 
+  
+  Real Pout_s[No](each min = 0, each start = Pg) "Outlet Pressure";
+  Real Tout_s[No](each min = 0, each start = Tg) "Outlet Temperature";
+  Real xout_sc[No, Nc](each min = 0, each max = 1) "Outlet Mixture Molar Fraction";
+  Real Fout_c[No](each min = 0,  start = Fg) "Outlet Mixture Molar Flow";
+  Real Fmout_c[No](each min = 0, start = Fg) "Outlet Mixture Mass Flow";
+  
+
+//==============================================================================
+//Instantiation of Connectors
+  Simulator.Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out[No](each Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  
+  extends GuessModels.InitialGuess;
+  
+  equation
+//==============================================================================
+//Connector equations
+  In.P = Pin;
+  In.T = Tin;
+  In.x_pc[1, :] = xin_c[:];
+  In.F = Fin;
+  for i in 1:No loop
+    Out[i].P = Pout_s[i];
+    Out[i].T = Tout_s[i];
+    Out[i].x_pc[1, :] = xout_sc[i, :];
+    Out[i].F = Fout_c[i];
+  end for;
+//================================================================================
+//Specification value assigning equation
+  if CalcType == "Split_Ratio" then
+    SplRat_s[:] = SpecVal_s[:];
+  elseif CalcType == "Molar_Flow" then
+    Fout_c[:] = SpecVal_s[:];
+  elseif CalcType == "Mass_Flow" then
+    Fmout_c[:] = SpecVal_s[:];
+  end if;
+//=================================================================================
+//Balance equation
+  for i in 1:No loop
+    Pin = Pout_s[i];
+    Tin = Tout_s[i];
+    xin_c[:] = xout_sc[i, :];
+    SplRat_s[i] = Fout_c[i] / Fin;
+    MW * Fout_c[i] = Fmout_c[i];
+  end for;
+//==================================================================================
+//Average Molecular Weight Calculation
+algorithm
+  MW := 0;
+  for i in 1:Nc loop
+    MW := MW + C[i].MW * xin_c[i];
+  end for;
+end Splitter;
diff --git a/src/main/Simulator/Simulator/UnitOperations/Valve.mo b/src/main/Simulator/Simulator/UnitOperations/Valve.mo
new file mode 100644
index 0000000..658d52a
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/Valve.mo
@@ -0,0 +1,63 @@
+within Simulator.UnitOperations;
+
+model Valve "Model of a valve to regulate the pressure of a material stream"
+  extends Simulator.Files.Icons.Valve;
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+    parameter Integer Nc = 3 "Number of components";
+  //====================================================================================
+  Real Fin(unit = "mol/s", min = 0, start = Fg) "Inlet stream molar flow rate";
+  Real Pin(unit = "Pa", min = 0, start = Pg) "Inlet stream pressure"; 
+  Real Tin(unit = "K", min = 0, start = Tg) "Inlet stream emperature";
+  Real Hin(unit = "kJ/kmol",start=Htotg) "Inlet stream molar enthalpy"; 
+  Real Sin(unit = "kJ/[kmol.K]") "Inlet stream molar entropy";
+  Real xvapin(unit = "-", min = 0, max = 1, start = xvapg) "Inlet stream vapor phase mole fraction"; 
+  
+  Real Tdel(unit = "K") "Temperature increase";
+  Real Pdel(unit = "Pa") "Pressure drop"; 
+ 
+  Real Fout(unit = "mol/s", min = 0, start = Fg) "outlet stream molar flow rate";
+  Real Pout(unit = "Pa", min = 0, start = Pg) "Outlet stream pressure";
+  Real Tout(unit = "K", min = 0, start = Tg) "Outlet stream temperature";
+  Real Hout(unit = "kJ/kmol",start=Htotg) "Outlet stream molar enthalpy";
+  Real Sout(unit = "kJ/[kmol.K]")  "Outlet stream molar entropy";
+  Real x_c[Nc](each unit = "-", each min = 0, each max = 1,  start = xg) "Component mole fraction";
+  Real xvapout(unit = "-", min = 0, max = 1, start = xvapg) "Outlet stream vapor phase mole fraction";
+  //========================================================================================
+
+  //========================================================================================
+  Files.Interfaces.matConn In(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {-100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  Simulator.Files.Interfaces.matConn Out(Nc = Nc) annotation(
+    Placement(visible = true, transformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0), iconTransformation(origin = {100, 0}, extent = {{-10, -10}, {10, 10}}, rotation = 0)));
+  //========================================================================================
+
+  extends GuessModels.InitialGuess;
+equation
+//connector equations
+  In.P = Pin;
+  In.T = Tin;
+  In.F = Fin;
+  In.H = Hin;
+  In.S = Sin;
+  In.x_pc[1, :] = x_c[:];
+  In.xvap = xvapin;
+  Out.P = Pout;
+  Out.T = Tout;
+  Out.F = Fout;
+  Out.H = Hout;
+  Out.S = Sout;
+  Out.x_pc[1, :] = x_c[:];
+  Out.xvap = xvapout;
+//=============================================================================================
+  Fin = Fout;
+//material balance
+  Hin = Hout;
+//energy balance
+  Pin - Pdel = Pout;
+//pressure calculation
+  Tin + Tdel = Tout;
+//temperature calculation
+annotation(
+    Documentation(info = "<html><head></head><body><span style=\"font-size: 12px;\">The valve is used to simulate the pressure manipulation process of a material stream.</span><div style=\"font-size: 12px;\"><br></div><div style=\"font-size: 12px;\">To simulate a valve, one of the following calculation parameter must be provided:</div><div style=\"font-size: 12px;\"><div><ol><li>Outlet Pressure (Pout)</li><li>Pressure Drop (Pdel)</li></ol><div><br></div></div><div>For example on simulating a valve, go to&nbsp;<b><i>Examples</i></b>&nbsp;&gt;&gt; <b><i>Valve</i></b></div></div></body></html>"));
+    
+    end Valve;
diff --git a/src/main/Simulator/Simulator/UnitOperations/package.mo b/src/main/Simulator/Simulator/UnitOperations/package.mo
new file mode 100644
index 0000000..0b39662
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/package.mo
@@ -0,0 +1,4 @@
+within Simulator;
+package UnitOperations
+  extends Modelica.Icons.VariantsPackage;
+end UnitOperations;
diff --git a/src/main/Simulator/Simulator/UnitOperations/package.order b/src/main/Simulator/Simulator/UnitOperations/package.order
new file mode 100644
index 0000000..95fe9a1
--- /dev/null
+++ b/src/main/Simulator/Simulator/UnitOperations/package.order
@@ -0,0 +1,18 @@
+Mixer
+Heater
+HeatExchanger
+Cooler
+Valve
+ShortcutColumn
+CompoundSeparator
+Flash
+Splitter
+CentrifugalPump
+AdiabaticCompressor
+AdiabaticExpander
+ConversionReactor
+EquilibriumReactor
+PFR
+DistillationColumn
+AbsorptionColumn
+RecycleBlock
diff --git a/src/main/Simulator/Simulator/package.mo b/src/main/Simulator/Simulator/package.mo
new file mode 100644
index 0000000..8e6e1da
--- /dev/null
+++ b/src/main/Simulator/Simulator/package.mo
@@ -0,0 +1,19 @@
+package Simulator
+  /* This aims to be steady state chemical engineering process simulator. Currently this contains Chemsep Database(contains more than 400 compounds), thermodynamic packages, Various themodynamic functions , Material stream(generic flash unit) and some generic unit operations and some Tests of these models*/
+  /* Chemsep Database is created by "Rahul Jain" and modified by "Pravin Dalve"*/
+  extends Modelica.Icons.Package;
+  import SI = Modelica.SIunits;
+  import Cv = Modelica.SIunits.Conversions;
+
+
+
+
+
+
+
+
+
+
+  annotation(
+    uses(Modelica(version = "3.2.3")));
+end Simulator;
diff --git a/src/main/Simulator/Simulator/package.order b/src/main/Simulator/Simulator/package.order
new file mode 100644
index 0000000..b0723ec
--- /dev/null
+++ b/src/main/Simulator/Simulator/package.order
@@ -0,0 +1,6 @@
+Files
+Streams
+UnitOperations
+Examples
+BinaryPhaseEnvelope
+GuessModels
diff --git a/src/main/python/DockWidgets/DistillationColumnStagewiseResults.py b/src/main/python/DockWidgets/DistillationColumnStagewiseResults.py
new file mode 100644
index 0000000..65527dc
--- /dev/null
+++ b/src/main/python/DockWidgets/DistillationColumnStagewiseResults.py
@@ -0,0 +1,18 @@
+import os, sys
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.uic import loadUiType
+from PyQt5.QtWidgets import QWidget
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DistillationColumnStagewiseResults.ui')
+
+
+class DistillationColumnStagewiseResults(QWidget,ui_dialog):
+
+    def __init__(self, parent=None):
+        QWidget.__init__(self, parent)
+        self.setupUi(self)
+        # self.setWindowTitle(self.parent.obj.name)
diff --git a/src/main/python/DockWidgets/DockWidget.py b/src/main/python/DockWidgets/DockWidget.py
new file mode 100644
index 0000000..764d8fb
--- /dev/null
+++ b/src/main/python/DockWidgets/DockWidget.py
@@ -0,0 +1,168 @@
+import os, sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+from python.utils.ComponentSelector import *
+from python.utils.Graphics import *
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DockWidget.ui')
+
+class DockWidget(QDockWidget,ui_dialog):
+    
+    def __init__(self,name,comptype,obj,container, parent=None):
+        QDockWidget.__init__(self,parent)
+        self.setupUi(self)
+        self.setWindowTitle(obj.name)
+        self.name=name
+        self.obj=obj
+        self.type = comptype
+        self.input_dict = {}
+        self.modes()
+        self.comboBox.currentIndexChanged.connect(self.mode_selection)
+       
+        #print("constructor ", self.input_dict)
+        self.pushButton_2.clicked.connect(self.param)
+
+        self.dict = {}          # a dictionary
+        self.container = container
+        
+    # input data tab
+    def modes(self):
+        modes_list = self.obj.modes_list
+        if(modes_list):
+            for j in modes_list:
+                self.comboBox.addItem(str(self.obj.variables[j]['name']))
+            self.comboBox.setCurrentText(self.obj.variables[self.obj.mode]['name'])
+            self.mode_selection()
+        else:
+            self.comboBox.setDisabled(True)
+            self.input_dict= {}
+            self.input_dict = self.obj.param_getter()
+            self.input_params_list()
+
+    def mode_selection(self):
+        self.input_dict= {}
+        for i in reversed(range(self.formLayout.count())):
+            self.formLayout.removeRow(i) 
+        #print(self.comboBox.currentText())
+        for i in self.obj.variables:
+            if self.obj.variables[i]['name'] == self.comboBox.currentText():
+                currentText = i
+                break
+        self.input_dict = self.obj.param_getter(currentText)
+        #print('mode selection ', self.input_dict)
+        self.input_params_list()
+            
+    def input_params_list(self):
+        try:
+            #print("input_params_list ", self.input_dict)
+            for c,i in enumerate(self.input_dict):
+                #print(i)
+                if i == None:
+                    continue
+                l = QLineEdit(str(self.obj.variables[i]['value']))
+                l.setFixedWidth(80)
+                lay = QGridLayout()
+                lay.addWidget(QLabel(self.obj.variables[i]['name']+":"),0,0, alignment=Qt.AlignLeft)
+                lay.addWidget(l,0,1, alignment=Qt.AlignCenter)
+                lay.addWidget(QLabel(self.obj.variables[i]['unit']),0,2, alignment=Qt.AlignLeft)
+                self.formLayout.addRow(lay)
+                self.input_dict[i] = l
+        except Exception as e:
+            print(e)
+
+
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
+    def param(self):
+        try:
+            self.dict = {}
+            #print("param.input_dict ", self.input_dict)
+            for i in self.input_dict:
+                if (self.input_dict[i] == None):
+                    continue                  
+                else:
+                    #print(self.input_dict[i], i, self.obj.type)
+                    if (self.input_dict[i].text()):
+                        self.dict[i] = self.input_dict[i].text()
+                    else:
+                        #print(self.input_dict[i].text())
+                        self.show_error()
+                        break
+            
+            #print("param ", self.dict)
+            self.obj.param_setter(self.dict)
+            for i in self.container.graphics.graphicsView.items():
+                try: 
+                    if(i.name == self.name):
+                        i.update_tooltip()
+                except:
+                    pass
+            if(self.isVisible()):
+                currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+                self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+            self.hide()
+            
+        except Exception as e:
+            print(e)
+
+    @staticmethod
+    def show_result(lst):
+        for i in lst:
+            try:
+                i.results_category(i.name)
+            except AttributeError:
+                pass
+        
+    def clear_results(self):
+        self.tableWidget.setRowCount(0)
+
+    # result data tab
+    def results_category(self,name):
+        flag = True
+        try:
+            #print("Under result category name ", name)
+            result=self.container.result
+            obj = self.container.fetch_object(name)
+            self.tableWidget.setRowCount(0)
+            variKeys = list(obj.variables.keys())
+            #print(variKeys)
+            for i, val in enumerate(variKeys):
+                propertyname = name + '.' + val
+                #print(i,val, propertyname)
+                if propertyname in result[0]:
+                    ind = result[0].index(propertyname)
+                    resultval = str(result[-1][ind])
+                    #print("######Resultsfetch####",val,resultval)
+                    rowPosition = self.tableWidget.rowCount()
+                    self.tableWidget.insertRow(rowPosition)
+                    self.tableWidget.setItem(rowPosition , 0, QTableWidgetItem(obj.variables[val]['name']))
+                    self.tableWidget.setItem(rowPosition , 1, QTableWidgetItem(resultval))
+                    self.tableWidget.setItem(rowPosition , 2, QTableWidgetItem(obj.variables[val]['unit']))
+                    self.tableWidget.resizeColumnsToContents()
+
+                    # Updating result in class
+                    obj.variables[val]['value'] = resultval
+                    # try:
+                    #     if obj.type == "Heater":
+                    #         print(obj.variables[val]['name'] + str(obj.variables[val]['value']))
+                    # except Exception as e:
+                    #     print(e)
+
+
+
+        except Exception as e:
+            print(e)
+
+    def closeEvent(self,event):
+        scrollHVal = self.parent().container.graphics.graphicsView.horizontalScrollBarVal
+        currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+        self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
\ No newline at end of file
diff --git a/src/main/python/DockWidgets/DockWidgetCompoundSeparator.py b/src/main/python/DockWidgets/DockWidgetCompoundSeparator.py
new file mode 100644
index 0000000..26f8fd4
--- /dev/null
+++ b/src/main/python/DockWidgets/DockWidgetCompoundSeparator.py
@@ -0,0 +1,134 @@
+import os, sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+import pandas as pd
+from functools import partial
+from python.utils.ComponentSelector import *
+from collections import defaultdict
+from python.utils.Graphics import *
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DockWidgetCompoundSeparator.ui')
+
+class DockWidgetCompoundSeparator(QDockWidget,ui_dialog):
+
+    def __init__(self,name,comptype,obj,container,parent=None):
+        QDockWidget.__init__(self,parent)
+        self.setupUi(self)
+        self.setWindowTitle(obj.name)
+        self.name=name
+        self.obj=obj
+        self.type = comptype
+        self.input_dict = []
+        self.lst = []
+        self.input_params_list()
+        self.dict = []
+            
+    def input_params_list(self):
+        try:
+            if self.type == 'CompoundSeparator':
+                self.lst.clear()
+                self.calculationGroupBox = QGroupBox('Calculation Parameters')
+                self.calculationLayout = QGridLayout()
+
+                r1 = QRadioButton('Stream 1')
+                r1.setSizePolicy(QSizePolicy.Fixed, QSizePolicy.Fixed)
+                r2 = QRadioButton('Stream 2')
+                r2.setSizePolicy(QSizePolicy.Fixed, QSizePolicy.Fixed)
+                if self.obj.variables['SepStrm']['value'] == 1:
+                    r1.setChecked(True)
+                    r2.setChecked(False)
+                else:
+                    r1.setChecked(False)
+                    r2.setChecked(True)
+
+
+                self.lst = [r1, r2]
+                self.calculationLayout.addWidget(r1, 0, 1)
+                self.calculationLayout.addWidget(r2, 0, 2)
+
+                for k,val in enumerate(self.obj.compounds):
+                    combo = QComboBox()
+                    #print("CompoundSeparator combo")
+                    for j in self.obj.SepFact_modes:
+                        combo.addItem(str(j))
+                    #print(self.obj.variables['SepFact_c']['value'][k])
+                    combo.setCurrentText(self.obj.variables['SepFact_c']['value'][k])
+                    combo.setSizePolicy(QSizePolicy.Fixed, QSizePolicy.Fixed)
+                    l = QLineEdit(str(self.obj.variables['SepVal_c']['value'][k]))
+                    l.setFixedWidth(80)
+                    l.setSizePolicy(QSizePolicy.Fixed, QSizePolicy.Fixed)
+                    self.calculationLayout.addWidget(QLabel(val+" :"), k+1,0, alignment=Qt.AlignLeft)
+                    self.calculationLayout.addWidget(combo, k+1, 1, alignment=Qt.AlignCenter)
+                    self.calculationLayout.addWidget(l,k+1,2, alignment=Qt.AlignCenter)
+                    self.lst.append(combo)
+                    self.lst.append(l)
+
+                self.calculationLayout.setColumnStretch(3, len(self.obj.compounds)+1)
+                self.calculationGroupBox.setLayout(self.calculationLayout)
+                
+                btn = QPushButton('Submit')
+                btn.clicked.connect(self.param)
+                
+                self.gridLayout.setVerticalSpacing(5)
+                self.gridLayout.addWidget(self.calculationGroupBox,0,0)
+                self.gridLayout.addWidget(btn,1,0)
+
+                self.input_dict = self.lst            
+                        
+        except Exception as e:
+            print(e)
+
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
+    def update_compounds(self):
+        try:
+            self.obj.init_variables()
+            t_item = self.calculationGroupBox.layout().itemAt(0)
+            self.calculationGroupBox.layout().removeItem(t_item)
+            while(t_item):
+                t_widget = t_item.widget()
+                if(t_widget):
+                    t_widget.setHidden(True)
+                    self.calculationGroupBox.layout().removeWidget(t_widget)
+                t_item = self.calculationGroupBox.layout().itemAt(0)
+            self.input_params_list()
+        except Exception as e:
+            print(e)
+            
+
+    def param(self):
+        try:
+            self.dict=[]
+           
+            self.dict = [self.input_dict[0].isChecked(), self.input_dict[1].isChecked()]
+            j = 2
+            for i in range(len(self.obj.compounds)):
+                self.dict.append(self.input_dict[j+i].currentText())
+                if(self.input_dict[j+i+1].text()):
+                    self.dict.append(self.input_dict[j+i+1].text())
+                    j += 1
+                else:
+                    self.show_error()
+                
+            
+            self.obj.param_setter(self.dict)
+            if(self.isVisible()):
+                currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+                self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+            self.hide()
+            
+        except Exception as e:
+            print(e)
+    def closeEvent(self,event):
+        scrollHVal = self.parent().container.graphics.graphicsView.horizontalScrollBarVal
+        currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+        self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
\ No newline at end of file
diff --git a/src/main/python/DockWidgets/DockWidgetCompressorExpander.py b/src/main/python/DockWidgets/DockWidgetCompressorExpander.py
new file mode 100644
index 0000000..9a8cb07
--- /dev/null
+++ b/src/main/python/DockWidgets/DockWidgetCompressorExpander.py
@@ -0,0 +1,167 @@
+import os, sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+from python.utils.ComponentSelector import *
+from python.utils.Graphics import *
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DockWidgetCompressorExpander.ui')
+
+class DockWidgetCompressorExpander(QDockWidget,ui_dialog):
+
+    def __init__(self,name,comptype,obj,container, parent=None):
+        QDockWidget.__init__(self,parent)
+        self.setupUi(self)
+        self.setWindowTitle(obj.name)
+        self.name=name
+        self.obj=obj
+        self.type = comptype
+        self.input_dict = {}
+        self.x_pclist = []
+        self.modes()
+        self.comboBox.currentIndexChanged.connect(self.mode_selection)
+       
+        self.pushButton_2.clicked.connect(self.param)
+        self.dict = {}
+
+        self.name_type = None
+        self.container = container
+        
+    # input data tab
+    def modes(self):
+        modes_list = self.obj.modes_list
+        if(modes_list):
+            for j in modes_list:
+                self.comboBox.addItem(str(self.obj.variables[j]['name']))
+            self.mode_selection()
+        else:
+            self.comboBox.setDisabled(True)
+            self.input_dict= {}
+            self.input_dict = self.obj.param_getter()
+            self.input_params_list()
+
+    def mode_selection(self):
+        self.input_dict= {}
+        for i in reversed(range(self.formLayout.count())):
+            self.formLayout.removeRow(i) 
+        #print(self.comboBox.currentText())
+        for i in self.obj.variables:
+            if self.obj.variables[i]['name'] == self.comboBox.currentText():
+                currentText = i
+                break
+        self.input_dict = self.obj.param_getter(currentText)
+        #print('mode selection ', self.input_dict)
+        self.input_params_list()
+            
+    def input_params_list(self):
+        try:
+            #print("input_params_list ", self.input_dict)
+            for c,i in enumerate(self.input_dict):
+                if i == None:
+                    continue
+                
+                l = QLineEdit()
+                if self.input_dict[i] != None:
+                    l.setText(str(self.input_dict[i]))
+                l.setFixedWidth(80)
+                lay = QGridLayout()
+                lay.addWidget(QLabel(self.obj.variables[i]['name']+":"),0,0, alignment=Qt.AlignLeft) 
+                lay.addWidget(l,0,1, alignment=Qt.AlignCenter)
+                lay.addWidget(QLabel(self.obj.variables[i]['unit']),0,2, alignment=Qt.AlignLeft)
+              
+                self.formLayout.addRow(lay)
+                self.input_dict[i] = l
+            
+            self.lines = [line.rstrip('\n') for line in open(parentPath+'/python/utils/thermopackage.txt')]
+            for j in self.lines:
+                self.cbTP.addItem(str(j))
+            self.input_dict['Thermo Package'] = self.cbTP
+            
+        except Exception as e:
+            print(e)
+
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
+    def param(self):
+        try:
+            self.dict={}
+            for i in self.input_dict:
+                if (self.input_dict[i] == None):
+                    continue                  
+                elif (i == "Thermo Package"):
+                    self.dict[i] = self.input_dict[i].currentText()
+                else:
+                    #print(self.input_dict[i], i, self.obj.type)
+                    if (self.input_dict[i].text()):
+                        self.dict[i] = self.input_dict[i].text()
+                    else:
+                        #print(self.input_dict[i].text())
+                        self.show_error()
+                        break
+            
+            self.obj.param_setter(self.dict)
+
+            for i in self.container.graphics.graphicsView.items():
+                try: 
+                    if(i.name == self.name):
+                        i.update_tooltip()
+                except:
+                    pass
+            if(self.isVisible()):
+                currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+                self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+            self.hide()
+            
+        except Exception as e:
+            print(e)
+
+    @staticmethod
+    def show_result(lst):
+        for i in lst:
+            try:
+                i.results_category(i.name)
+            except AttributeError:
+                pass
+        
+    def clear_results(self):
+        self.tableWidget.setRowCount(0)
+
+    # result data tab
+    def results_category(self,name):
+        flag = True
+        try:
+            #print("Under result category name ", name)
+            result=self.container.result
+            obj = self.container.fetch_object(name)
+            self.tableWidget.setRowCount(0)
+            variKeys = list(obj.variables.keys())
+            #print(variKeys)
+            for i, val in enumerate(variKeys):
+                propertyname = name + '.' + val
+                #print(i,val, propertyname)
+                if propertyname in result[0]:
+                    ind = result[0].index(propertyname)
+                    resultval = str(result[-1][ind])
+                    #print("######Resultsfetch####",val,resultval)
+                    rowPosition = self.tableWidget.rowCount()
+                    self.tableWidget.insertRow(rowPosition)
+                    self.tableWidget.setItem(rowPosition , 0, QTableWidgetItem(obj.variables[val]['name']))
+                    self.tableWidget.setItem(rowPosition , 1, QTableWidgetItem(resultval))
+                    self.tableWidget.setItem(rowPosition , 2, QTableWidgetItem(obj.variables[val]['unit']))
+                    self.tableWidget.resizeColumnsToContents()
+
+        except Exception as e:
+            print(e)
+            
+    def closeEvent(self,event):
+        scrollHVal = self.parent().container.graphics.graphicsView.horizontalScrollBarVal
+        currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+        self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
\ No newline at end of file
diff --git a/src/main/python/DockWidgets/DockWidgetDistillationColumn.py b/src/main/python/DockWidgets/DockWidgetDistillationColumn.py
new file mode 100644
index 0000000..7895b32
--- /dev/null
+++ b/src/main/python/DockWidgets/DockWidgetDistillationColumn.py
@@ -0,0 +1,390 @@
+import os, sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+import pandas as pd
+from functools import partial
+from collections import defaultdict
+
+from python.utils.ComponentSelector import *
+from python.DockWidgets.DistillationColumnStagewiseResults import DistillationColumnStagewiseResults
+from python.utils.Graphics import *
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DockWidgetDistillationColumn.ui')
+
+
+class DockWidgetDistillationColumn(QDockWidget, ui_dialog):
+
+    def __init__(self,name,comptype,obj,container,parent=None):
+        QDockWidget.__init__(self,parent)
+        self.setupUi(self)
+        self.setWindowTitle(obj.name)
+        self.name=name
+        self.obj=obj
+        self.type = comptype
+        self.input_dict = []
+        self.pushButton_2.clicked.connect(self.param)
+        self.dict = []
+        self.input_params_list()
+        self.name_type = None
+        self.container = container
+        self.stage_res_table = DistillationColumnStagewiseResults()
+        self.stageResultsButton.clicked.connect(self.showStagewiseResults)
+
+    # input data tab
+            
+    def input_params_list(self):
+        try:
+            print("input_params_list ", self.input_dict)
+        
+            # tab 1
+            
+            l1 = QLineEdit()
+            l1.setFixedWidth(80)
+            l1.setText(str(self.obj.variables['Nt']['value']))
+            self.lay1.addWidget(QLabel(self.obj.variables['Nt']['name'] + " :"), 0 ,0, alignment=Qt.AlignLeft)
+            self.lay1.addWidget(l1,0,1, alignment=Qt.AlignLeft)
+            self.input_dict.append(l1)     
+
+            for i in range(self.obj.variables['Ni']['value']):
+                print(i)
+                l = QLineEdit()
+                l.setFixedWidth(80)
+                if len(self.obj.variables['InT_s']['value']) is not 0:
+                    l.setText(str(self.obj.variables['InT_s']['value'][i]))
+                self.lay1.addWidget(QLabel(self.obj.variables['InT_s']['name'] +" " + str(i+1) + " location :"),2*(i+1),0, alignment=Qt.AlignLeft)
+                self.lay1.addWidget(l,2*(i+1),1, alignment=Qt.AlignLeft)
+                self.input_dict.append(l)
+
+            # tab 2
+            self.l4.setText(self.obj.variables['Ctype']['name']+":")
+
+            self.u1.setText(self.obj.variables['Ctype']['unit'])
+            self.l5.setText(self.obj.variables['Pcond']['name']+":")
+            self.le5.setText(str(self.obj.variables['Pcond']['value']))
+            self.u2.setText(self.obj.variables['Pcond']['unit'])
+            self.l6.setText(self.obj.variables['C_Spec']['name']+":")
+            self.le6.setText(str(self.obj.variables['C_Spec']['value']))
+            self.l7.setText("Compounds :")
+
+            self.cb5.addItem("Total")
+            self.cb5.addItem("Partial")
+            self.cb5.setCurrentText(self.obj.variables['Ctype']['value'])
+            
+            for j in self.obj.Cspec_list:
+                self.cb1.addItem(str(j))
+            self.cb1.setCurrentText(self.obj.variables['C_Spec']['type'])
+            for j in self.obj.compounds:
+                self.cb2.addItem(str(j))
+            self.cb2.setCurrentText(self.obj.variables['C_Spec']['comp'])
+
+            self.cb2.setDisabled(True)  
+            self.cb1.currentIndexChanged.connect(self.fun2) 
+
+            self.le5.setFixedWidth(80)
+            self.le6.setFixedWidth(80)
+            self.le7.setFixedWidth(80)
+            self.le8.setFixedWidth(80)
+            self.cb1.setFixedWidth(180)
+            self.cb2.setFixedWidth(80)
+            self.cb3.setFixedWidth(180)
+            self.cb4.setFixedWidth(80)
+            self.cb5.setFixedWidth(80)
+            self.u2.setAlignment(Qt.AlignLeft)
+            self.u3.setAlignment(Qt.AlignLeft)
+
+            self.input_dict.append(self.cb5)
+            self.input_dict.append(self.le5)
+            self.input_dict.append(self.cb1) 
+            self.input_dict.append(self.cb2)
+            self.input_dict.append(self.le6)                      
+
+            # tab3
+            self.l8.setText(self.obj.variables['Preb']['name']+":")
+            self.le7.setText(str(self.obj.variables['Preb']['value']))
+            self.u3.setText(self.obj.variables['Preb']['unit'])
+            self.l9.setText(self.obj.variables['R_Spec']['name']+":")
+            self.le8.setText(str(self.obj.variables['R_Spec']['value']))
+            self.l10.setText('Compounds')
+        
+            for j in self.obj.Rspec_list:
+                self.cb3.addItem(str(j))
+            self.cb3.setCurrentText(self.obj.variables['R_Spec']['type'])
+            for j in self.obj.compounds:
+                self.cb4.addItem(str(j))
+            self.cb4.setCurrentText(self.obj.variables['R_Spec']['comp'])
+            self.cb4.setDisabled(True)
+            self.cb3.currentIndexChanged.connect(self.fun3)
+
+            self.input_dict.append(self.le7)
+            self.input_dict.append(self.cb3)
+            self.input_dict.append(self.cb4) 
+            self.input_dict.append(self.le8)
+
+            self.lines = [line.rstrip('\n') for line in open(parentPath+'/python/utils/thermopackage.txt')]
+            for j in self.lines:
+                self.cbTP.addItem(str(j))
+            self.cbTP.setCurrentText(self.obj.variables['thermo_package']['value'])
+
+            self.input_dict.append(self.cbTP)
+
+            # self.input_dict = [self.le1, self.le2, self.le3, self.cb5, self.le5, self.cb1, self.cb2, self.le6, self.le7, self.cb3, self.cb4, self.le8]
+             
+        except Exception as e:
+            print(e)
+
+    def update_compounds(self):
+        self.cb2.clear()
+        self.cb4.clear()
+        for j in self.obj.compounds:
+            self.cb2.addItem(str(j))
+        self.cb2.setCurrentText(self.obj.variables['C_Spec']['comp'])
+        for j in self.obj.compounds:
+            self.cb4.addItem(str(j))
+        self.cb4.setCurrentText(self.obj.variables['R_Spec']['comp'])
+
+    def fun2(self):
+        if self.cb1.currentText() == 'Compound Molar Fraction' or self.cb1.currentText() == 'Compound Molar Flow    (mol/s)':
+            self.cb2.setDisabled(False)
+        else:
+            self.cb2.setDisabled(True)
+    
+    def fun3(self):
+        if self.cb3.currentText() == 'Compound Molar Fraction' or self.cb3.currentText() == 'Compound Molar Flow    (mol/s)':
+            self.cb4.setDisabled(False)
+        else:
+            self.cb4.setDisabled(True)
+    
+    def Show_Error(self):
+        QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
+    def param(self):
+        try:
+            self.dict= []
+            temp = 0
+            print("param.input_dict ", self.input_dict)
+            self.dict.append(int(self.input_dict[0].text()))
+            
+            for i in range(self.obj.variables['Ni']['value']):
+                self.dict.append(int(self.input_dict[i+1].text()))
+                temp = i + 1
+                print(temp)
+
+            # print(temp)
+            # print(self.input_dict[temp+1])
+            self.dict.append(self.input_dict[temp+1].currentText())
+            # print(temp+1)
+            self.dict.append(int(self.input_dict[temp+2].text()))
+            #print(temp+2)
+            self.dict.append(self.input_dict[temp+3].currentText())
+            #print(temp+3)
+            self.dict.append(self.input_dict[temp+4].currentText())
+            #print(temp+4)
+            self.dict.append(int(self.input_dict[temp+5].text()))
+            #print(temp+5)
+            self.dict.append(int(self.input_dict[temp+6].text()))
+            #print(temp+6)
+            self.dict.append(self.input_dict[temp+7].currentText())
+            #print(temp+7)
+            self.dict.append(self.input_dict[temp+8].currentText())
+            #print(temp+8)
+            self.dict.append(int(self.input_dict[temp+9].text()))
+            #print(temp+9)
+            self.dict.append(self.input_dict[temp+10].currentText())
+            #print(temp + 10)
+
+            #print("param ", self.dict)
+            self.obj.param_setter(self.dict)
+            if(self.isVisible()):
+                currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+                self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+            self.hide()
+            
+        except Exception as e:
+            print(e)
+
+    def showStagewiseResults(self):
+        self.stage_res_table.show()
+
+    @staticmethod
+    def showResult(lst):
+        # DockWidget1.flag = True
+        for i in lst:
+            try:
+                i.results_category(i.name)
+            except AttributeError:
+                pass
+
+    def clear_results(self):
+        self.tableWidget.setRowCount(0)
+        self.stage_res_table.T_table.setRowCount(0)
+        self.stage_res_table.T_table.setColumnCount(0)
+        self.stage_res_table.x_pc_table.setRowCount(0)
+        self.stage_res_table.x_pc_table.setColumnCount(0)
+        
+    # result data tab
+    def results_category(self,name):
+        flag = True
+        try:
+            #print("Under result category name ", name)
+            result = self.container.result
+            obj = self.container.fetch_object(name)
+            self.tableWidget.setRowCount(0)
+            variKeys = obj.result_parameters
+            #print(variKeys)
+            for i, val in enumerate(variKeys):
+                propertyname = name + '.' + val
+                #print(i, val, propertyname)
+                if propertyname in result[0]:
+                    ind = result[0].index(propertyname)
+                    resultval = str(result[-1][ind])
+                    obj.variables[val]['value'] = result[-1][ind]
+                    #print("######Resultsfetch####", val, resultval)
+                    rowPosition = self.tableWidget.rowCount()
+                    self.tableWidget.insertRow(rowPosition)
+                    self.tableWidget.setItem(rowPosition, 0, QTableWidgetItem(obj.variables[val]['name']))
+                    self.tableWidget.setItem(rowPosition, 1, QTableWidgetItem(resultval))
+                    self.tableWidget.setItem(rowPosition, 2, QTableWidgetItem(obj.variables[val]['unit']))
+                    self.tableWidget.resizeColumnsToContents()
+
+            # Stagewise Results
+            Nt = self.obj.variables['Nt']['value']
+            Nc = len(self.obj.compounds)
+            # initializing temporary arrays
+            Stages_T = [None for i in range(Nt)]
+        # Can be uncommented when F_p and F_pc implemented in modelica table
+            # Stages_F_p = [[None for i in range(3)] for j in range(Nt)]
+            # Stages_F_pc = [[[None for i in range(3)] for j in range(Nc)] for k in range(Nt)]
+            Stages_x_pc = [[[None for i in range(3)] for j in range(Nc)] for k in range(Nt)]
+
+            Stages_res_varikeys = ['T']
+            for i in range(Nc):
+                for j in range(3):
+                    Stages_res_varikeys.append('x_pc[' + str(j + 1) + ',' + str(i + 1) + ']')
+
+            for v in Stages_res_varikeys:
+                propertyname = name + '.condenser.' + v
+                if propertyname in result[0]:
+                    ind = result[0].index(propertyname)
+                    if v == 'T':
+                        Stages_T[0] = result[-1][ind]
+                # Can be uncommented when F_p is implemented in modelica model
+                    # elif v == 'F_p':
+                    #     if result[0][ind][result[0][ind].index('[') + 1] == '1':
+                    #         Stages_F_p[0][0] = result[-1][ind]
+                    #     elif result[0][ind][result[0][ind].index('[') + 1] == '2':
+                    #         Stages_F_p[0][1] = result[-1][ind]
+                    #     else:
+                    #         Stages_F_p[0][2] = result[-1][ind]
+                    else:
+                        #print(ind)
+                        phase_no = int(result[0][ind][result[0][ind].index('[') + 1])
+                        comp_no = int(result[0][ind][result[0][ind].index(']') - 1])
+                        Stages_x_pc[0][comp_no - 1][phase_no - 1] = result[-1][ind]
+                    # Can be uncommented and improved when F_pc implemented in modelica model
+                        # if v == 'F_pc':
+                        #     Stages_F_pc[0][comp_no - 1][phase_no - 1] = result[-1][ind]
+                        # else:
+                        #     Stages_x_pc[0][comp_no - 1][phase_no - 1] = result[-1][ind]
+
+                for i in range(1, Nt - 1):
+                    propertyname = name + '.tray[' + str(i) + '].' + v
+                    if propertyname in result[0]:
+                        ind = result[0].index(propertyname)
+                        if v == 'T':
+                            Stages_T[i] = result[-1][ind]
+                    # Can be uncommented when F_p implemented in modelica model
+                        # elif v == 'F_p':
+                        #     if result[0][ind][result[0][ind].index('[') + 1] == '1':
+                        #         Stages_F_p[i][0] = result[-1][ind]
+                        #     elif result[0][ind][result[0][ind].index('[') + 1] == '2':
+                        #         Stages_F_p[i][1] = result[-1][ind]
+                        #     else:
+                        #         Stages_F_p[i][2] = result[-1][ind]
+                        else:
+                            # print(ind)
+                            # print(result[0][ind])
+                            phase_no = int(result[0][ind].split('.')[-1][result[0][ind].split('.')[-1].index('[') + 1])
+                            comp_no = int(result[0][ind].split('.')[-1][result[0][ind].split('.')[-1].index(']') - 1])
+                            Stages_x_pc[i][comp_no - 1][phase_no - 1] = result[-1][ind]
+                        # Can be uncommented when F_pc implemented in modelica model
+                            # if v == 'F_pc':
+                            #     Stages_F_pc[i][comp_no - 1][phase_no - 1] = result[-1][ind]
+                            # else:
+                            #     Stages_x_pc[i][comp_no - 1][phase_no - 1] = result[-1][ind]
+
+                propertyname = name + '.reboiler.' + v
+                if propertyname in result[0]:
+                    ind = result[0].index(propertyname)
+                    if v == 'T':
+                        Stages_T[-1] = result[-1][ind]
+                # Can be uncommented when F_p implemented in modelica model
+                    # elif v == 'F_p':
+                    #     if result[0][ind][result[0][ind].index('[') + 1] == '1':
+                    #         Stages_F_p[-1][0] = result[-1][ind]
+                    #     elif result[0][ind][result[0][ind].index('[') + 1] == '2':
+                    #         Stages_F_p[-1][1] = result[-1][ind]
+                    #     else:
+                    #         Stages_F_p[-1][2] = result[-1][ind]
+                    else:
+                        print(ind)
+                        phase_no = int(result[0][ind][result[0][ind].index('[') + 1])
+                        comp_no = int(result[0][ind][result[0][ind].index(']') - 1])
+                        Stages_x_pc[-1][comp_no - 1][phase_no - 1] = result[-1][ind]
+                    # Can be uncommented when F_pc implemented in modelica model
+                        # if v == 'F_pc':
+                        #     Stages_F_pc[-1][comp_no - 1][phase_no - 1] = result[-1][ind]
+                        # else:
+                        #     Stages_x_pc[-1][comp_no - 1][phase_no - 1] = result[-1][ind]
+
+            # Assigning temp variables to obj variabes
+            self.obj.variables['Stages.T']['value'] = Stages_T
+        # Can be uncommented when F_p and F_pc implemented in modelica model
+            # self.obj.variables['Stages.F_p']['value'] = Stages_F_p
+            # self.obj.variables['Stages.F_pc']['value'] = Stages_F_pc
+            self.obj.variables['Stages.x_pc']['value'] = Stages_x_pc
+
+            # filling stagewise result table
+            tables = [self.stage_res_table.T_table, self.stage_res_table.x_pc_table]
+        # Can be uncommented when F_p and F_pc implemented in modelica model
+            # tables = [self.stage_res_table.T_table, self.stage_res_table.F_p_table, self.stage_res_table.F_pc_table, self.stage_res_table.x_pc_table]
+
+            for t in tables:
+                t.setRowCount(Nt)
+                t.setVerticalHeaderItem(0, QTableWidgetItem('Condenser'))
+                t.setVerticalHeaderItem(Nt -1, QTableWidgetItem('Reboiler'))
+                for i in range(1, Nt - 1):
+                    t.setVerticalHeaderItem(i, QTableWidgetItem('Stage ' + str(i)))
+
+            T_table = self.stage_res_table.T_table
+            T_table.setColumnCount(1)
+            for i in range(Nt):
+                T_table.setItem(i, 0, QTableWidgetItem(Stages_T[i]))
+
+            x_pc_table = self.stage_res_table.x_pc_table
+            x_pc_table.setColumnCount(2*Nc)
+            for i in range(Nc):
+                x_pc_table.setHorizontalHeaderItem(2*i, QTableWidgetItem(self.obj.compounds[i] + '(Vapor)'))
+                x_pc_table.setHorizontalHeaderItem(2*i + 1, QTableWidgetItem(self.obj.compounds[i] + '(Liquid)'))
+
+            for i in range(Nt):
+                for j in range(Nc):
+                    x_pc_table.setItem(i, 2*j, QTableWidgetItem(Stages_x_pc[i][j][1]))
+                    x_pc_table.setItem(i, 2 * j + 1, QTableWidgetItem(Stages_x_pc[i][j][2]))
+
+            for t in tables:
+                t.resizeColumnsToContents()
+        except Exception as e:
+            print(e)
+
+    def closeEvent(self,event):
+        scrollHVal = self.parent().container.graphics.graphicsView.horizontalScrollBarVal
+        currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+        self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
\ No newline at end of file
diff --git a/src/main/python/DockWidgets/DockWidgetFlash.py b/src/main/python/DockWidgets/DockWidgetFlash.py
new file mode 100644
index 0000000..c001fe2
--- /dev/null
+++ b/src/main/python/DockWidgets/DockWidgetFlash.py
@@ -0,0 +1,90 @@
+import os, sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+from python.utils.ComponentSelector import *
+from python.utils.Graphics import *
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DockWidgetFlash.ui')
+
+class DockWidgetFlash(QDockWidget,ui_dialog):
+
+    def __init__(self,name,comptype,obj,container,parent=None):
+        QDockWidget.__init__(self,parent)
+        self.setupUi(self)
+        self.setWindowTitle(obj.name)
+        self.name=name
+        self.obj=obj
+        self.type = comptype
+        self.input_dict = []
+        self.input_params_list()
+        self.btn.clicked.connect(self.param)
+        self.dict = []  # a list
+
+    def input_params_list(self):
+        try:        
+            self.l1.setText(self.obj.variables['thermo_package']['name']+":")
+            self.lines = [line.rstrip('\n') for line in open(parentPath+'/python/utils/thermopackage.txt')]
+            for j in self.lines:
+                self.cb1.addItem(str(j))
+            self.cb1.setCurrentText(self.obj.variables['thermo_package']['value'])
+            
+            self.check1.setText(self.obj.variables['Tdef']['name']+":")
+            self.le2.setText(str(self.obj.variables['Tdef']['value']))
+            self.u2.setText(self.obj.variables['Tdef']['unit'])
+            self.check1.toggled.connect(self.fun)
+            self.check1.setChecked(self.obj.variables['BTdef']['value'])
+            self.check2.setText(self.obj.variables['Pdef']['name']+":")
+            self.le3.setText(str(self.obj.variables['Pdef']['value']))
+            self.u3.setText(self.obj.variables['Pdef']['unit'])
+            self.check2.toggled.connect(self.fun)
+            self.check2.setChecked(self.obj.variables['BPdef']['value'])
+
+            self.le2.setFixedWidth(80)
+            self.le3.setFixedWidth(80)
+            self.cb1.setFixedWidth(80)
+
+            self.input_dict = [self.cb1, self.check1, self.le2, self.check2, self.le3]
+ 
+        except Exception as e:
+            print(e)
+
+    def fun(self):
+        if self.check1.isChecked():
+            self.le2.setDisabled(False)
+        else:
+            self.le2.setDisabled(True)
+        if self.check2.isChecked():
+            self.le3.setDisabled(False)
+        else:
+            self.le3.setDisabled(True)
+    
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
+    def param(self):
+        try:
+            self.dict = []
+            #print("param.input_dict ", self.input_dict)
+            self.dict = [self.input_dict[0].currentText(),self.input_dict[1].isChecked(), float(self.input_dict[2].text()), self.input_dict[3].isChecked(), float(self.input_dict[4].text())]
+            #print("param ", self.dict)
+            self.obj.param_setter(self.dict)
+            if(self.isVisible()):
+                currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+                self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+            self.hide()
+            
+        except Exception as e:
+            print(e)
+            
+    def closeEvent(self,event):
+        scrollHVal = self.parent().container.graphics.graphicsView.horizontalScrollBarVal
+        currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+        self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
\ No newline at end of file
diff --git a/src/main/python/DockWidgets/DockWidgetMaterialStream.py b/src/main/python/DockWidgets/DockWidgetMaterialStream.py
new file mode 100644
index 0000000..d2aefb6
--- /dev/null
+++ b/src/main/python/DockWidgets/DockWidgetMaterialStream.py
@@ -0,0 +1,368 @@
+import os, sys
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+from python.utils.ComponentSelector import *
+from python.utils.Graphics import *
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DockWidgetMaterialStream.ui')
+
+class DockWidgetMaterialStream(QDockWidget,ui_dialog):
+
+    def __init__(self,name,comptype,obj,container,parent=None):
+        QDockWidget.__init__(self,parent)
+        self.setupUi(self)
+        self.setWindowTitle(obj.name)
+        self.name=name
+        self.obj=obj
+        self.type = comptype
+        self.input_dict = {}
+        self.x_pclist = []
+
+        self.comboBox.currentIndexChanged.connect(self.mode_selection)
+
+        self.pushButton_2.clicked.connect(self.param)
+        self.dict = {}          # a dictionary
+
+        self.name_type = None
+        self.container = container
+
+        header = QTreeWidgetItem(['Compound','Value','Unit'])
+        self.mTreeWidget.setHeaderItem(header)
+        self.lTreeWidget.setHeaderItem(header)
+        self.vTreeWidget.setHeaderItem(header)
+        lines = [line.rstrip('\n') for line in open(parentPath+'/python/utils/thermopackage.txt')]
+        for j in lines:
+            self.cbTP.addItem(str(j))
+        self.modes()
+
+    # input data tab
+    def modes(self):
+        modes_list = self.obj.modes_list
+        if(modes_list):
+            for j in modes_list:
+                self.comboBox.addItem(str(j))
+            self.comboBox.setCurrentText(self.obj.mode)
+            self.mode_selection()
+        else:
+            self.input_dict= {}
+            self.input_dict = self.obj.param_getter()
+            self.input_params_list()
+
+    def mode_selection(self):
+        self.input_dict= {}
+        try: # removing existing rows while changing modes
+            for i in reversed(range(self.formLayout.count())):
+                self.formLayout.removeRow(i)
+        except Exception as e:
+            print(e)
+        self.input_dict = self.obj.param_getter(self.comboBox.currentText())
+        self.obj.mode = self.comboBox.currentText()
+        self.input_params_list()
+
+    def input_params_list(self):
+        try:
+            for c,i in enumerate(self.input_dict):
+                if(i=="x_pc"):
+                    noc = len(compound_selected)
+                    #print(noc)
+                    self.x_pclist.clear()
+
+                    self.comp_gb = QGroupBox("Mole Fractions")
+                    lay = QGridLayout()
+                    for j in range(noc):
+                        try:
+                            l = QLineEdit(str(self.obj.variables['x_pc']['value'][j]))
+                        except:
+                            l = QLineEdit()
+                        l.setFixedWidth(100)
+                        self.input_dict[i] = "x_pc"
+                        lay.addWidget(QLabel(str(compound_selected[j])+":"),j,0, alignment= Qt.AlignLeft)
+                        lay.addWidget(l,j,1, alignment=Qt.AlignCenter)
+                        self.x_pclist.append(l)
+                        lay.setSizeConstraint(QLayout.SetFixedSize)
+                    self.comp_gb.setLayout(lay)
+                    self.formLayout.addRow(self.comp_gb)
+                elif i == "Thermo Package":
+                    self.cbTP.setCurrentText(self.input_dict[i])
+                else:
+                    #print("elseloop")
+                    l = QLineEdit()
+                    if self.input_dict[i] != None:
+                        l.setText(str(self.input_dict[i]))
+                    l.setFixedWidth(80)
+                    lay = QGridLayout()
+                    if i !='MolFlow':
+                        lay.addWidget(QLabel(self.obj.variables[i]['name']+":"),0,0, alignment=Qt.AlignLeft)
+                    else:
+                        lay.addWidget(QLabel(i+":"),0,0, alignment=Qt.AlignLeft)
+                    lay.addWidget(l,0,1, alignment=Qt.AlignCenter)
+                    if(i != 'MolFlow'):
+                        lay.addWidget(QLabel(self.obj.variables[i]['unit']),0,2, alignment=Qt.AlignLeft)
+                    else:
+                        lay.addWidget(QLabel("mol/s"),0,2, alignment=Qt.AlignLeft)
+                    self.formLayout.addRow(lay)
+                    self.input_dict[i] = l
+
+
+        except Exception as e:
+            print(e)
+
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
+    def update_compounds(self):
+        try:
+            noc = len(compound_selected)
+            #print(noc)
+            self.x_pclist.clear()
+
+            lay = QGridLayout()
+            for j in range(noc):
+                l = QLineEdit()
+                lay.addWidget(QLabel(str(compound_selected[j]) + ":"), j, 0, alignment=Qt.AlignLeft)
+                lay.addWidget(l, j, 1, alignment=Qt.AlignCenter)
+                self.x_pclist.append(l)
+                lay.setSizeConstraint(QLayout.SetFixedSize)
+            self.comp_gb.setLayout(lay)
+            indexx = self.comboBox.currentIndex()
+            self.comboBox.setCurrentIndex(1)
+            self.comboBox.setCurrentIndex(indexx)
+            self.obj.init_variables()
+        except Exception as e:
+            print(e)
+
+    def param(self):
+        try:
+            self.dict={}
+            #print("param.input_dict ", self.input_dict)
+            for i in self.input_dict:
+                #print(i)
+                if(i =="x_pc"):
+                    l=[]
+                    mf = []
+                    total_moles = 0
+                    for mol_frac in self.x_pclist:
+                        if (mol_frac.text()):
+                            l.append(mol_frac.text())
+                            total_moles += float(l[-1])
+                        else:
+                            self.show_error()
+                            break
+                    for c in range(len(compound_selected)):
+                        mf.append(str(float(l[c])/total_moles))
+                        self.obj.variables[compound_selected[c]]['value'] = str(float(l[c])/total_moles)
+                        self.x_pclist[c].setText(mf[-1])
+                    self.dict[i] = ",".join(mf)
+                elif (i == "Thermo Package"):
+                    self.dict[i] = self.cbTP.currentText()
+                else:
+                    if (self.input_dict[i].text()):
+                        self.dict[i] = self.input_dict[i].text()
+                    else:
+                        #print(self.input_dict[i])
+                        self.show_error()
+                        break
+
+            #print("param ", self.dict)
+
+            self.obj.param_setter(self.dict)
+
+            for i in self.container.graphics.graphicsView.items():
+                try: 
+                    if(i.name == self.name):
+                        i.update_tooltip()
+                except:
+                    pass
+            if(self.isVisible()):
+                currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+                self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+            self.hide()
+            
+        except Exception as e:
+            print(e)
+
+    def update_input_values(self):
+        self.init()
+
+    @staticmethod
+    def show_result(ms_lst):
+        for i in ms_lst:
+            i.results_category(i.name)
+    
+    def clear_results(self):
+        self.mTreeWidget.clear()
+        self.mTableWidget.setRowCount(0)
+        self.lTreeWidget.clear()
+        self.lTableWidget.setRowCount(0)
+        self.vTreeWidget.clear()
+        self.vTableWidget.setRowCount(0)
+
+    # result data tab
+    def results_category(self,name):
+        try:
+            #print("Under result category name ", name)
+            result=self.container.result
+            obj = self.container.fetch_object(name)
+
+
+            d = {"Mole Fraction":"x_pc", "Mass Fraction":"xm_pc", "Mole Flow":"F_pc", "Mass Flow":"Fm_pc"}
+            ms_lst = list(d.keys())
+            klst = list(d.values())
+
+            p = {"Pressure":"P", "Temperature":"T","Vapour Phase Mole Fraction":"xvap", "Phase Molar Enthalpy":"H_p", 
+            "Phase Molar Entropy":"S_p", "Molar Flow Rate":"F_p","Mass Flow Rate":"Fm_p"}
+
+            # Amounts Tab
+            if obj.type == 'MaterialStream':
+                ll = []  # list for basis names
+                for basis in d:
+                    propertyname = name + '.' + d[basis]
+                    #print("basis ", basis, propertyname)
+                    for i in result[0]:
+                        if (propertyname in i):
+                            ll.append(i)
+                #print(ll)
+              
+                j = 0
+                namee = 'none'
+                #print("namee ", namee)
+                #initialization for treewidgets
+                lroot = 1
+                mroot = 1
+                vroot = 1
+
+
+                for i,k in enumerate(ll):
+                    ind = result[0].index(k)
+                    #print("index ", ind)
+                    #print("str ", k)
+                    resultval = str(result[-1][ind])
+                    #print("######Resultsfetch####",resultval)
+                    #print(k[k.find(".")+1:k.find("[")])
+                    obj.variables[k.split('.')[1]]['value'] = resultval
+
+                    if namee not in k:
+                        mroot = QTreeWidgetItem(self.mTreeWidget, [ms_lst[j]])
+                        lroot = QTreeWidgetItem(self.lTreeWidget, [ms_lst[j]])
+                        vroot = QTreeWidgetItem(self.vTreeWidget, [ms_lst[j]])
+                        namee = klst[j]
+
+                    phase_no = int(k[k.index(',') - 1])  # phase no is from modelica list
+                    compound_no = int(k[k.index(',') + 1]) - 1  # compound is from python list
+
+                    if phase_no == 1:
+                        child = QTreeWidgetItem(mroot, [compound_selected[compound_no], str(round(float(resultval),4)),
+                                                        obj.variables[k.split('.')[1]]['unit']])
+                    elif phase_no == 2:
+                        child = QTreeWidgetItem(lroot, [compound_selected[compound_no], str(round(float(resultval),4)),
+                                                        obj.variables[k.split('.')[1]]['unit']])
+                    elif phase_no == 3:
+                        child = QTreeWidgetItem(vroot, [compound_selected[compound_no], str(round(float(resultval),4)),
+                                                        obj.variables[k.split('.')[1]]['unit']])
+                        if (compound_no + 1) == len(compound_selected):
+                            j += 1
+
+
+                
+                # Phase Properties Tab
+                phaseResLst = []
+                for phase in p:
+                    propertyname = name + '.' + p[phase]
+                    #print("phase ", phase, propertyname)
+                    for i in result[0]:
+                        if i.find('['):
+                            if (propertyname == i[0:i.find('[')]):
+                                phaseResLst.append(i)
+                        if propertyname == i:
+                            phaseResLst.append(i)
+                #print(phaseResLst)
+                
+                self.mTableWidget.setRowCount(0)
+                self.lTableWidget.setRowCount(0)
+                self.vTableWidget.setRowCount(0)
+
+                for i,val in enumerate(phaseResLst):
+                    ind = result[0].index(val)
+                    resultval = str(result[-1][ind])
+                    #print(resultval, i, val)
+                    obj.variables[val.split('.')[1]]['value'] = resultval
+                    if '[' in val:
+                        #print(val)
+                        temp = val[val.find('.')+1:val.find('[')]
+                        #print(temp)
+                        if '1' in val.split('.')[1]:
+                            #print(obj.variables[val.split('.')[1]]['name'])
+                            mrowPosition = self.mTableWidget.rowCount()
+                            self.mTableWidget.insertRow(mrowPosition)
+                            self.mTableWidget.setItem(mrowPosition , 0, QTableWidgetItem(obj.variables[val.split('.')[1]]['name']))
+                            self.mTableWidget.setItem(mrowPosition , 1, QTableWidgetItem(str(round(float(resultval),4))))
+                            self.mTableWidget.setItem(mrowPosition , 2, QTableWidgetItem(obj.variables[val.split('.')[1]]['unit']))
+                            self.mTableWidget.resizeColumnsToContents() 
+                                                 
+                        if '2' in val.split('.')[1]:       
+                            lrowPosition = self.lTableWidget.rowCount()
+                            self.lTableWidget.insertRow(lrowPosition)
+                            self.lTableWidget.setItem(lrowPosition , 0, QTableWidgetItem(obj.variables[val.split('.')[1]]['name']))
+                            self.lTableWidget.setItem(lrowPosition , 1, QTableWidgetItem(str(round(float(resultval),4))))
+                            self.lTableWidget.setItem(lrowPosition , 2, QTableWidgetItem(obj.variables[val.split('.')[1]]['unit']))
+                            self.lTableWidget.resizeColumnsToContents()                         
+                        if '3' in val.split('.')[1]:   
+                            vrowPosition = self.vTableWidget.rowCount()
+                            self.vTableWidget.insertRow(vrowPosition)
+                            self.vTableWidget.setItem(vrowPosition , 0, QTableWidgetItem(obj.variables[val.split('.')[1]]['name']))
+                            self.vTableWidget.setItem(vrowPosition , 1, QTableWidgetItem(str(round(float(resultval),4))))
+                            self.vTableWidget.setItem(vrowPosition , 2, QTableWidgetItem(obj.variables[val.split('.')[1]]['unit']))
+                            self.vTableWidget.resizeColumnsToContents()                                
+                    if not '[' in val:
+                        #print(obj.variables[val.split('.')[1]]['name'])
+                        mrowPosition = self.mTableWidget.rowCount()
+                        self.mTableWidget.insertRow(mrowPosition)
+                        self.mTableWidget.setItem(mrowPosition , 0, QTableWidgetItem(obj.variables[val.split('.')[1]]['name']))
+                        self.mTableWidget.setItem(mrowPosition , 1, QTableWidgetItem(str(round(float(resultval),4))))
+                        self.mTableWidget.setItem(mrowPosition , 2, QTableWidgetItem(obj.variables[val.split('.')[1]]['unit']))
+                        self.mTableWidget.resizeColumnsToContents() 
+
+
+            # updating the input data from fetched results from simulation
+            #print(self.comboBox.currentText())
+       
+            self.input_dict = {}
+            self.input_dict = self.obj.param_getter(self.comboBox.currentText())
+            # print("before", self.input_dict)
+            for i in range(len(compound_selected)):
+                #print(i)
+                self.input_dict['x_pc[1,' + str(i+1) + ']'] = self.obj.variables['x_pc[1,' + str(i+1) +']']['value']
+            # self.input_dict['thermo_package'] = temp
+            # print("after", self.input_dict)
+            
+            # changing index for updating the input data
+            indexx = self.comboBox.currentIndex()
+            self.comboBox.setCurrentIndex(1)
+            self.comboBox.setCurrentIndex(indexx)
+
+            try:
+
+                for i in self.parent().container.graphics.graphicsView.items():
+                    try:
+                        if i.obj == self.obj:
+                            i.update_tooltip()
+                    except Exception as e:
+                        pass
+            except Exception as e:
+                print(e)
+
+
+        except Exception as e:
+            print(e)
+    def closeEvent(self,event):
+        scrollHVal = self.parent().container.graphics.graphicsView.horizontalScrollBarVal
+        currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+        self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+    
\ No newline at end of file
diff --git a/src/main/python/DockWidgets/DockWidgetMixer.py b/src/main/python/DockWidgets/DockWidgetMixer.py
new file mode 100644
index 0000000..5d89589
--- /dev/null
+++ b/src/main/python/DockWidgets/DockWidgetMixer.py
@@ -0,0 +1,66 @@
+import os, sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+from python.utils.ComponentSelector import *
+from python.utils.Graphics import *
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DockWidgetMixer.ui')
+
+class DockWidgetMixer(QDockWidget,ui_dialog):
+
+    def __init__(self,name,comptype,obj,container,parent=None):
+        QDockWidget.__init__(self,parent)
+        self.setupUi(self)
+        self.setWindowTitle(obj.name)
+        self.name=name
+        self.obj=obj
+        self.type = comptype
+        self.input_dict = []
+        self.x_pclist = []
+        self.input_params_list()
+        self.btn.clicked.connect(self.param)
+        self.dict = {}
+
+    # input data tab
+    def input_params_list(self):
+        try:        
+            self.l1.setText(self.obj.variables['NI']['name']+":")
+            self.le1.setText(str(self.obj.variables['NI']['value']))
+            self.u1.setText(self.obj.variables['NI']['unit'])
+            for i in self.obj.Pout_modes:
+                self.cb2.addItem(str(i))
+            self.cb2.setCurrentText(self.obj.variables['outPress']['value'])
+
+            self.l2.setText(self.obj.variables['outPress']['name']+":")
+            self.input_dict = [self.le1, self.cb2]
+ 
+        except Exception as e:
+            print(e)
+    
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
+    def param(self):
+        try:
+            self.dict={}
+            self.dict = [int(self.input_dict[0].text()), self.input_dict[1].currentText()]
+            self.obj.param_setter(self.dict)
+            if(self.isVisible()):
+                currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+                self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+            self.hide()
+            
+        except Exception as e:
+            print(e)
+    def closeEvent(self,event):
+        scrollHVal = self.parent().container.graphics.graphicsView.horizontalScrollBarVal
+        currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+        self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
\ No newline at end of file
diff --git a/src/main/python/DockWidgets/DockWidgetShortcutColumn.py b/src/main/python/DockWidgets/DockWidgetShortcutColumn.py
new file mode 100644
index 0000000..b627e9d
--- /dev/null
+++ b/src/main/python/DockWidgets/DockWidgetShortcutColumn.py
@@ -0,0 +1,148 @@
+import os, sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+from python.utils.ComponentSelector import *
+from python.utils.Graphics import *
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DockWidgetShortcutColumn.ui')
+
+class DockWidgetShortcutColumn(QDockWidget,ui_dialog):
+
+    def __init__(self,name,comptype,obj,container,parent=None):
+        QDockWidget.__init__(self,parent)
+        self.setupUi(self)
+        self.setWindowTitle(obj.name)
+        self.name=name
+        self.obj=obj
+        self.type = comptype
+        self.input_dict = []
+        self.input_params_list()
+        self.btn.clicked.connect(self.param)
+        self.dict = []
+
+        self.name_type = None
+        self.container = container
+
+    # input data tab
+    def input_params_list(self):
+        try:        
+            self.l1.setText(self.obj.variables['HKey']['name']+":")
+            self.l2.setText(self.obj.variables['LKey']['name']+":")
+
+            print(self.obj.compounds)
+            for i in self.obj.compounds:
+                self.cb1.addItem(str(i))
+                self.cb2.addItem(str(i))
+            self.cb1.setCurrentText(self.obj.compounds[int(self.obj.variables['HKey']['value'])-1])
+            self.cb2.setCurrentText(self.obj.compounds[int(self.obj.variables['LKey']['value'])-1])
+
+            self.l3.setText(self.obj.variables['HKey_x_pc']['name']+":")
+            self.le3.setText(str(self.obj.variables['HKey_x_pc']['value']))
+            self.u3.setText(self.obj.variables['HKey_x_pc']['unit'])
+            self.l4.setText(self.obj.variables['LKey_x_pc']['name']+":")
+            self.u4.setText(self.obj.variables['LKey_x_pc']['unit'])
+            self.le4.setText(str(self.obj.variables['LKey_x_pc']['value']))
+
+            self.l5.setText(self.obj.variables['Ctype']['name']+":")
+            self.cb5.addItem('Total')
+            self.cb5.addItem('Partial')
+            self.cb5.setCurrentText(self.obj.variables['Ctype']['value'])
+
+            self.l6.setText(self.obj.variables['Pcond']['name']+":")
+            self.le6.setText(str(self.obj.variables['Pcond']['value']))
+            self.u6.setText(self.obj.variables['Pcond']['unit'])
+            self.l7.setText(self.obj.variables['Preb']['name']+":")
+            self.u7.setText(self.obj.variables['Preb']['unit'])
+            self.le7.setText(str(self.obj.variables['Preb']['value']))
+            
+            self.l8.setText(self.obj.variables['RR']['name']+":") 
+            self.le8.setText(str(self.obj.variables['RR']['value']))
+
+            self.l9.setText("Thermo Package :")
+
+            self.lines = [line.rstrip('\n') for line in open(parentPath+'/python/utils/thermopackage.txt')]
+            for j in self.lines:
+                self.cb6.addItem(str(j))
+            self.cb6.setCurrentText(self.obj.variables['thermo_package']['value'])
+            
+            self.input_dict = [self.cb1, self.cb2, self.le3, self.le4, self.cb5, self.le6, self.le7, self.le8, self.cb6]
+
+        except Exception as e:
+            print(e)
+
+    def update_compounds(self):
+        self.cb1.clear()
+        self.cb2.clear()
+        for i in self.obj.compounds:
+            self.cb1.addItem(str(i))
+            self.cb2.addItem(str(i))
+        self.cb1.setCurrentText(self.obj.compounds[int(self.obj.variables['HKey']['value']) - 1])
+        self.cb2.setCurrentText(self.obj.compounds[int(self.obj.variables['LKey']['value']) - 1])
+    
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
+    def param(self):
+        try:
+            self.dict=[]
+            self.dict = [self.input_dict[0].currentText(),self.input_dict[1].currentText(),float(self.input_dict[2].text()), float(self.input_dict[3].text()),
+                        self.input_dict[4].currentText(), float(self.input_dict[5].text()), float(self.input_dict[6].text()), float(self.input_dict[7].text()),
+                        self.input_dict[8].currentText()]            
+            self.obj.param_setter(self.dict)
+            if(self.isVisible()):
+                currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+                self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+            self.hide()
+            
+        except Exception as e:
+            print(e)
+
+    @staticmethod
+    def show_result(lst):
+        for i in lst:
+            try:
+                i.results_category(i.name)
+            except AttributeError:
+                pass
+
+    def clear_results(self):
+        self.tableWidget.setRowCount(0)
+
+    # result data tab
+    def results_category(self,name):
+        flag = True
+        try:
+            #print("Under result category name ", name)
+            result=self.container.result
+            obj = self.container.fetch_object(name)
+            self.tableWidget.setRowCount(0)
+            variKeys = obj.result_parameters
+            #print(variKeys)
+            for i, val in enumerate(variKeys):
+                propertyname = name + '.' + val
+                #print(i,val, propertyname)
+                if propertyname in result[0]:
+                    ind = result[0].index(propertyname)
+                    resultval = str(result[-1][ind])
+                    obj.variables[val]['value']= result[-1][ind]
+                    #print("######Resultsfetch####",val,resultval)
+                    rowPosition = self.tableWidget.rowCount()
+                    self.tableWidget.insertRow(rowPosition)
+                    self.tableWidget.setItem(rowPosition , 0, QTableWidgetItem(obj.variables[val]['name']))
+                    self.tableWidget.setItem(rowPosition , 1, QTableWidgetItem(resultval))
+                    self.tableWidget.setItem(rowPosition , 2, QTableWidgetItem(obj.variables[val]['unit']))
+                    self.tableWidget.resizeColumnsToContents()
+        except Exception as e:
+            print(e)
+    def closeEvent(self,event):
+        scrollHVal = self.parent().container.graphics.graphicsView.horizontalScrollBarVal
+        currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+        self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
\ No newline at end of file
diff --git a/src/main/python/DockWidgets/DockWidgetSplitter.py b/src/main/python/DockWidgets/DockWidgetSplitter.py
new file mode 100644
index 0000000..296e111
--- /dev/null
+++ b/src/main/python/DockWidgets/DockWidgetSplitter.py
@@ -0,0 +1,85 @@
+import os, sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+from python.utils.ComponentSelector import *
+from python.utils.Graphics import *
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/DockWidgets/DockWidgetSplitter.ui')
+
+class DockWidgetSplitter(QDockWidget,ui_dialog):
+
+    def __init__(self,name,comptype,obj,container,parent=None):
+        QDockWidget.__init__(self,parent)
+        self.setupUi(self)
+        self.setWindowTitle(obj.name)
+        self.name=name
+        self.obj=obj
+        self.type = comptype
+        self.input_dict = []
+        self.input_params_list()
+        self.btn.clicked.connect(self.param)
+        self.dict = {}
+
+    # input data tab
+    def input_params_list(self):
+        try:        
+            self.l1.setText(self.obj.variables['No']['name']+":")
+            self.le1.setText(str(self.obj.variables['No']['value']))
+            self.u1.setText(self.obj.variables['No']['unit'])
+
+            self.l2.setText(self.obj.variables['CalcType']['name'] + ":")
+            for i in self.obj.CalcType_modes:
+                self.cb2.addItem(str(i))
+            self.cb2.setCurrentText(self.obj.variables['CalcType']['value'])
+
+            self.l3.setText("Stream 1 :")
+            self.le3.setText(str(self.obj.variables['SpecVal_s']['value'][0]))
+            self.u3.setText(self.obj.variables['SpecVal_s']['unit'])
+            self.l4.setText("Stream 2 :")
+            self.le4.setText(str(self.obj.variables['SpecVal_s']['value'][1]))
+            self.u4.setText(str(self.obj.variables['SpecVal_s']['unit']))
+            self.cb2.currentIndexChanged.connect(self.fun)
+
+            self.input_dict = [self.le1, self.cb2, self.le3, self.le4]
+ 
+        except Exception as e:
+            print(e)
+
+    def fun(self):
+        if self.cb2.currentText() == 'Molar_Flow':
+            self.u3.setText('mol/s')
+            self.u4.setText('mol/s')
+        elif self.cb2.currentText() == 'Mass_Flow':
+            self.u3.setText('g/s')
+            self.u4.setText('g/s')
+        else:
+            self.u3.setText('')
+            self.u4.setText('')
+    
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Please fill all fields with data")
+
+    def param(self):
+        try:
+            self.dict={}
+            self.dict = [int(self.input_dict[0].text()),self.input_dict[1].currentText(), float(self.input_dict[2].text()), float(self.input_dict[3].text())]
+            self.obj.param_setter(self.dict)
+            if(self.isVisible()):
+                currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+                self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
+            self.hide()
+        except Exception as e:
+            print(e)
+
+    def closeEvent(self,event):
+        scrollHVal = self.parent().container.graphics.graphicsView.horizontalScrollBarVal
+        currentVal = self.parent().container.graphics.graphicsView.horizontalScrollBar().value()
+        self.parent().container.graphics.graphicsView.horizontalScrollBar().setValue(currentVal-189)
\ No newline at end of file
diff --git a/src/main/python/DockWidgets/__init__.py b/src/main/python/DockWidgets/__init__.py
new file mode 100644
index 0000000..e69de29
--- /dev/null
+++ b/src/main/python/DockWidgets/__init__.py
diff --git a/src/main/python/DockWidgets/__pycache__/DistillationColumnStagewiseResults.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DistillationColumnStagewiseResults.cpython-36.pyc
new file mode 100644
index 0000000..0feb70b
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DistillationColumnStagewiseResults.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DistillationColumnStagewiseResults.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DistillationColumnStagewiseResults.cpython-37.pyc
new file mode 100644
index 0000000..d8c43f1
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DistillationColumnStagewiseResults.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidget.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DockWidget.cpython-36.pyc
new file mode 100644
index 0000000..853e89a
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidget.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidget.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DockWidget.cpython-37.pyc
new file mode 100644
index 0000000..90c3ef9
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidget.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetCompoundSeparator.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetCompoundSeparator.cpython-36.pyc
new file mode 100644
index 0000000..355cf3a
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetCompoundSeparator.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetCompoundSeparator.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetCompoundSeparator.cpython-37.pyc
new file mode 100644
index 0000000..eed70e1
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetCompoundSeparator.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetCompressorExpander.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetCompressorExpander.cpython-36.pyc
new file mode 100644
index 0000000..88102aa
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetCompressorExpander.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetCompressorExpander.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetCompressorExpander.cpython-37.pyc
new file mode 100644
index 0000000..05d0157
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetCompressorExpander.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetDistillationColumn.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetDistillationColumn.cpython-36.pyc
new file mode 100644
index 0000000..f5eccbb
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetDistillationColumn.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetDistillationColumn.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetDistillationColumn.cpython-37.pyc
new file mode 100644
index 0000000..a3cba32
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetDistillationColumn.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetFlash.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetFlash.cpython-36.pyc
new file mode 100644
index 0000000..34d90b2
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetFlash.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetFlash.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetFlash.cpython-37.pyc
new file mode 100644
index 0000000..08f6dae
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetFlash.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetMaterialStream.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetMaterialStream.cpython-36.pyc
new file mode 100644
index 0000000..1181e13
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetMaterialStream.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetMaterialStream.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetMaterialStream.cpython-37.pyc
new file mode 100644
index 0000000..abc5f50
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetMaterialStream.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetMixer.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetMixer.cpython-36.pyc
new file mode 100644
index 0000000..1fc6df4
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetMixer.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetMixer.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetMixer.cpython-37.pyc
new file mode 100644
index 0000000..2974d48
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetMixer.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetShortcutColumn.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetShortcutColumn.cpython-36.pyc
new file mode 100644
index 0000000..99d84d1
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetShortcutColumn.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetShortcutColumn.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetShortcutColumn.cpython-37.pyc
new file mode 100644
index 0000000..46cd536
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetShortcutColumn.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetSplitter.cpython-36.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetSplitter.cpython-36.pyc
new file mode 100644
index 0000000..6c8bb16
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetSplitter.cpython-36.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/DockWidgetSplitter.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/DockWidgetSplitter.cpython-37.pyc
new file mode 100644
index 0000000..d23e668
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/DockWidgetSplitter.cpython-37.pyc
diff --git a/src/main/python/DockWidgets/__pycache__/__init__.cpython-37.pyc b/src/main/python/DockWidgets/__pycache__/__init__.cpython-37.pyc
new file mode 100644
index 0000000..9a9342e
--- /dev/null
+++ b/src/main/python/DockWidgets/__pycache__/__init__.cpython-37.pyc
diff --git a/src/main/python/OMChem/CompSep.py b/src/main/python/OMChem/CompSep.py
new file mode 100644
index 0000000..d538acb
--- /dev/null
+++ b/src/main/python/OMChem/CompSep.py
@@ -0,0 +1,71 @@
+from OMChem.EngStm import EngStm
+import json
+class CompSep():
+    counter = 1
+    def __init__(self,CompNames = [],name='CompSep',SepFact=['Molar_Flow','Mass_Flow'],SepStrm=1,SepFactValue=[]):
+        self.SepFact = json.dumps(SepFact).replace('[','{').replace(']','}')
+        self.SepStrm = str(SepStrm)
+        self.SepFactValue = json.dumps(SepFactValue).replace('[','{').replace(']','}')
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = []
+        self.OutputStms = []
+        self.type = 'CompSep'
+        self.EngStms = EngStm(name='EngStm')
+
+         # new 
+        self.name = name + str(CompSep.counter) 
+        self.no_of_input = 1 
+        self.no_of_output = 2  
+        CompSep.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def modesList(self):
+        return []
+
+    def paramgetter(self,mode=None):
+        dict = {"SepStrm":None,"SepFactValue":None,"SepFact":None}
+        return dict
+
+    def paramsetter(self,dict):
+        self.SepStrm = dict['SepStrm']
+        self.SepFactValue = dict['SepFactValue']
+        self.SepFact = dict['SepFact']
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStms.name+';\n'
+        self.OM_data_init = self.OM_data_init + (
+        "Simulator.Unit_Operations.Compound_Separator " + self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")
+        self.OM_data_init = self.OM_data_init + ("sepFact = "+self.SepFact+",sepStrm = " + self.SepStrm + ", sepFactVal = " + self.SepFactValue + ");\n")
+
+        return self.OM_data_init
+
+    def connect(self,InputStms = None,OutputStms = []):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        comp_count = len(addedcomp)
+        strcount = 1
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' + self.name + '.inlet' + ');\n')
+            
+        for strm in self.OutputStms:
+            self.OM_data_eqn = self.OM_data_eqn + ('connect(' + strm.name + '.inlet,' + self.name + '.outlet'+str(strcount)+');\n')
+            strcount += 1
+        
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.EngStms.name + '.outlet,' + self.name + '.energy);\n')
+        sepFac = str(self.SepFactValue).strip('[').strip(']')
+
+        self.OM_data_eqn = self.OM_data_eqn + (self.name+'.sepFactVal= {'+ sepFac + '};\n')
+
+        return self.OM_data_eqn
+
diff --git a/src/main/python/OMChem/ConvReactor.py b/src/main/python/OMChem/ConvReactor.py
new file mode 100644
index 0000000..5c83106
--- /dev/null
+++ b/src/main/python/OMChem/ConvReactor.py
@@ -0,0 +1,44 @@
+import json
+from OMChem.EngStm import EngStm
+class ConvReactor():
+    def __init__(self,name='',Nr=None,b=None,X=None,Z=None,a=[],operation=None,Tdef=None):
+        self.Nr = str(Nr)
+        self.b = str(b)
+        self.X = str(X)
+        self.Z = str(Z)
+        self.a = json.dumps(a).replace('[','{').replace(']','}')
+        self.operation = str(operation)
+        self.name = name
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = []
+        self.OutputStms = []
+        self.Tdef = str(Tdef)
+      
+        self.type = 'ConvReactor'
+        self.EngStms = EngStm(name="EngStm")
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStms.name+';\n'
+        self.OM_data_init = self.OM_data_init + ( "Simulator.Unit_Operations.ConversionReactor " + self.name + "(Nr = " + self.Nr + ',b = ' + self.b + ',X = ' + self.X + ',Z = ' + self.Z + ',a = ' + self.a + ',operation = ' + self.operation + ',Tdef = ' + self.Tdef + ');\n')
+        return self.OM_data_init
+
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        comp_count = len(addedcomp)
+        strcount = 1
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' + self.name + '.inlet' + ');\n')
+            
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.OutputStms[0].name + '.inlet,' + self.name + '.outlet);\n')
+            
+
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.EngStms.name + '.inlet,' + self.name + '.EnergyStream);\n')
+
+        return self.OM_data_eqn
diff --git a/src/main/python/OMChem/Cooler.py b/src/main/python/OMChem/Cooler.py
new file mode 100644
index 0000000..9a44033
--- /dev/null
+++ b/src/main/python/OMChem/Cooler.py
@@ -0,0 +1,76 @@
+from OMChem.EngStm import EngStm
+class Cooler():
+    counter = 1
+    def __init__(self,name='Cooler',PressureDrop = None, eff = None):
+        self.PressureDrop = PressureDrop
+        self.eff = eff
+        # self.name = name
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = None
+        #self.heatRem = heatRem
+        self.EngStms = EngStm(name='EngStm')
+        self.type = 'Cooler'
+        self.mode = None
+        self.modeVal = None
+
+        self.Prop = {
+                'pressDrop':None,
+                'eff':None,
+                'outT':None,
+                'tempDrop':None,
+                'heatRem':None,
+            }
+        # new 
+        self.name = name + str(Cooler.counter) 
+        self.no_of_input = 1 
+        self.no_of_output = 1  
+        Cooler.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def modesList(self):
+        return ["heatRem","outT","outVapPhasMolFrac","tempDrop","enFlo"]
+
+    def paramgetter(self,mode="heatRem"):
+        self.mode = mode
+        dict = {"PressureDrop":None,"eff":None,self.mode:None}
+        return dict
+
+    def paramsetter(self,dict):
+        
+        self.PressureDrop = dict['PressureDrop']
+        self.eff = dict['eff']
+        self.modeVal = dict[self.mode]
+        
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStms.name+';\n'
+        self.OM_data_init = self.OM_data_init + (
+        "Simulator.Unit_Operations.Cooler " + self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")
+        self.OM_data_init = self.OM_data_init + 'pressDrop = ' + str(self.PressureDrop) + ','
+        self.OM_data_init = self.OM_data_init + 'eff = ' + str(self.eff) + ');\n'
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        # self.OM_data_eqn = self.name + '.pressDrop = ' + str(self.PressDrop) + ';\n'
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' +  self.name + '.inlet' + ');\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.outlet,' + self.OutputStms[0].name + '.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.EngStms.name + '.outlet,'+ self.name + '.energy);\n')
+        if(self.mode =="enFlo"):
+            self.OM_data_eqn = self.OM_data_eqn + (self.EngStms.name+'.'+self.mode+'='+ self.modeVal + ';\n')
+        else:    
+            self.OM_data_eqn = self.OM_data_eqn + (self.name+'.'+self.mode+'='+ self.modeVal + ';\n')
+        return self.OM_data_eqn
\ No newline at end of file
diff --git a/src/main/python/OMChem/DistCol.py b/src/main/python/OMChem/DistCol.py
new file mode 100644
index 0000000..c4a88c3
--- /dev/null
+++ b/src/main/python/OMChem/DistCol.py
@@ -0,0 +1,103 @@
+from OMChem.EngStm import EngStm
+class DistCol():
+    counter = 1
+    def __init__(self,name='DistCol', numStage = None,numFeeds = None,feedStages = None):
+        self.numStage = numStage
+        self.numFeeds=numFeeds
+        self.feedStages=feedStages
+        self.name = name + str(DistCol.counter) 
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = None
+        self.EngStm1 = EngStm(name='EngStm1'+self.name)
+        self.EngStm2 = EngStm(name='EngStm2'+self.name)
+        self.count = DistCol.counter
+        self.thermoPackage='Raoults_Law'
+        self.type = 'DistCol'
+        self.mode = None
+        self.condType=''
+        self.modeVal = None
+        self.condP=None
+        self.rebP=None
+
+        # new 
+        self.no_of_input = 2 
+        self.no_of_output = 2  
+        DistCol.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def modesList(self):
+        return ["refluxRatio","sideDrawMolFlo","T"]
+
+    def paramgetter(self,mode="refluxRatio"):
+        self.mode=mode
+        dict = { "numStage" : None,"numFeeds" :None,"feedStages" :None,"thermoPackage":None,"condType":None,self.mode:None,"condensor.P":None,"reboiler.P":None}
+        return dict
+        
+    def paramsetter(self,dict):
+        self.numStage = dict["numStage"]
+        self.numFeeds = dict["numFeeds"]
+        self.feedStages = dict["feedStages"].split(",")
+        self.modeVal=dict[self.mode]
+        self.condP=dict["condensor.P"]
+        self.rebP=dict["reboiler.P"]
+        self.condType=dict["condType"]
+  
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        self.OM_data_init = self.OM_data_init + 'model Condensor\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.Unit_Operations.Distillation_Column.Cond;\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.Files.Thermodynamic_Packages.'+self.thermoPackage+';\n'
+        self.OM_data_init = self.OM_data_init + 'end Condensor;\n'
+        self.OM_data_init = self.OM_data_init + 'model Tray\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.Unit_Operations.Distillation_Column.DistTray;\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.Files.Thermodynamic_Packages.'+self.thermoPackage+';\n'
+        self.OM_data_init = self.OM_data_init + 'end Tray;\n'
+        self.OM_data_init = self.OM_data_init + 'model Reboiler\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.Unit_Operations.Distillation_Column.Reb;\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.Files.Thermodynamic_Packages.'+self.thermoPackage+';\n'
+        self.OM_data_init = self.OM_data_init + 'end Reboiler;\n'
+        self.OM_data_init = self.OM_data_init + ("model distCol"+str(self.count)+"\n")
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Unit_Operations.Distillation_Column.DistCol;\n" )
+        self.OM_data_init = self.OM_data_init + ("Condensor condensor(Nc = Nc, comp = comp, condType =condType, boolFeed = boolFeed[1], T(start = 300));\n" )
+        self.OM_data_init = self.OM_data_init + ("Reboiler reboiler(Nc = Nc, comp = comp, boolFeed = boolFeed[noOfStages]);\n" )
+        self.OM_data_init = self.OM_data_init + ("Tray tray[noOfStages - 2](each Nc = Nc, each comp = comp, boolFeed = boolFeed[2:noOfStages -1]);\n" )
+        self.OM_data_init = self.OM_data_init + ("end distCol"+str(self.count)+";\n")
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + (
+        "distCol"+str(self.count)+" "+ self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.feedStages=str(self.feedStages).strip('[').strip(']')
+        self.feedStages = self.feedStages.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")+("noOfStages="+self.numStage+","+"noOfFeeds="+self.numFeeds+",feedStages="+"{"+self.feedStages+"}"+",condensor.condType="+"\""+self.condType+"\""+");\n")
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStm1.name+';\n'
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStm2.name+';\n'
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        self.OM_data_eqn = self.OM_data_eqn + ('connect('+self.name+'.'+'condensor_duty'+','+ self.EngStm1.name+'.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect('+self.name+'.reboiler_duty'+', '+self.EngStm2.name+'.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect('+self.name+'.distillate'+", "+self.OutputStms[0].name+'.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect('+self.name+'.bottoms'+", "+self.OutputStms[1].name+'.inlet);\n')
+        for i in range(len(self.InputStms)):
+            self.OM_data_eqn = self.OM_data_eqn + ('connect('+self.InputStms[i].name+'.outlet'+", "+self.name+'.feed['+str(i+1)+']);\n')
+        self.OM_data_eqn = self.OM_data_eqn + (self.OutputStms[1].name+'.'+'totMolFlow[1] = '+str(self.OutputStms[1].Prop['totMolFlo[1]'])+';\n')
+        if self.mode=="refluxRatio":
+            self.OM_data_eqn = self.OM_data_eqn + (self.name+'.'+str(self.mode)+'='+ str(self.modeVal) + ';\n')
+        else:
+            self.OM_data_eqn = self.OM_data_eqn + (self.name+'.condensor.'+self.mode+'='+ str(self.modeVal) + ';\n')
+        
+        self.OM_data_eqn = self.OM_data_eqn + self.name +'.reboiler.P='+self.rebP+';\n'
+        self.OM_data_eqn = self.OM_data_eqn + self.name +'.condensor.P='+self.condP+';\n'
+        return self.OM_data_eqn
+        
diff --git a/src/main/python/OMChem/EngStm.py b/src/main/python/OMChem/EngStm.py
new file mode 100644
index 0000000..c02a5d5
--- /dev/null
+++ b/src/main/python/OMChem/EngStm.py
@@ -0,0 +1,18 @@
+
+class EngStm():
+    
+    def __init__(self,name = 'Engstm'):
+        self.name = name
+        self.type = 'EngStm'
+        self.OM_data_init = ''
+        self.OM_data_eqn = ''
+
+
+    def OM_Flowsheet_Init(self,addedcomp):
+        self.OM_data_init = ''
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.name+';\n'
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self,addedcomp):
+        self.OM_data_eqn=''
+        return self.OM_data_eqn
diff --git a/src/main/python/OMChem/Flash.py b/src/main/python/OMChem/Flash.py
new file mode 100644
index 0000000..165849a
--- /dev/null
+++ b/src/main/python/OMChem/Flash.py
@@ -0,0 +1,55 @@
+class Flash():
+    counter = 1
+    def __init__(self,name='Flash'):
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = None
+        self.type = 'flash'
+        self.count = Flash.counter
+        self.thermoPackage =None
+
+        # new 
+        self.name = name + str(Flash.counter) 
+        self.no_of_input = 1 
+        self.no_of_output = 2  
+        Flash.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def modesList(self):
+        return []   
+
+    def paramgetter(self,mode=None):
+        dict = {"thermoPackage":None}
+        return dict
+    def paramsetter(self,dict):
+        self.thermoPackage = dict['thermoPackage']
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        self.OM_data_init = self.OM_data_init + ("model fls"+str(self.count)+"\n")
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Unit_Operations.Flash;\n" )
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Files.Thermodynamic_Packages."+self.thermoPackage+";\n")
+        self.OM_data_init = self.OM_data_init + ("end fls"+str(self.count)+";\n")
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + (
+        "fls"+str(self.count)+" "+ self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("});\n")
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        comp_count = len(addedcomp)
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' + self.name + '.feed' + ');\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.vapor,' + self.OutputStms[0].name + '.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.liquid,' + self.OutputStms[1].name + '.inlet);\n')
+        return self.OM_data_eqn
\ No newline at end of file
diff --git a/src/main/python/OMChem/Flowsheet.py b/src/main/python/OMChem/Flowsheet.py
new file mode 100644
index 0000000..a83ac4e
--- /dev/null
+++ b/src/main/python/OMChem/Flowsheet.py
@@ -0,0 +1,307 @@
+import os
+import csv
+from subprocess import Popen, PIPE,STARTUPINFO,STARTF_USESHOWWINDOW
+import pandas as pd
+
+class Flowsheet():
+    def __init__(self):
+        self.sim_name = '../Simulator'
+        self.sim_method = ''
+        self.unit_operations = []
+        self.data = []
+        self.compounds = []
+        self.interface = ''
+        self.omc_path = None
+        self.root_dir = os.getcwd()		                                    # Chemical-Simulator-GUI
+        self.sim_dir_path = os.path.join(self.root_dir, self.sim_name)      # Chemical-Simulator-GUI/Simulator
+        self.Flomo_path = os.path.join(self.sim_dir_path,'Flowsheet.mo') 
+        self.eqn_mos_path = os.path.join(self.sim_dir_path,'simulateEQN.mos')
+        self.sm_mos_path = os.path.join(self.sim_dir_path,'simulateSM.mos')
+        self.result_data = []
+        self.stdout=None
+        self.stderr=None
+    
+    def get_omc_path(self,msg):
+        try:
+            self.omhome = os.environ.get('OPENMODELICAHOME')
+            if self.omhome is None:
+                self.omhome = os.path.split(os.path.split(os.path.realpath(spawn.find_executable("omc")))[0])[0]
+            elif os.path.exists('/opt/local/bin/omc'):
+                self.omhome = '/opt/local'
+            elif os.path.exists('/usr/bin/omc'):
+                self.omhome = '/usr'
+            return os.path.join(self.omhome, 'bin', 'omc')
+        except BaseException:
+            msg.parent().parent().parent().container.disableInterfaceforSimulation(False)
+            msg.append("<span style=\"color:red\"><b>Installation Error : </b>The OpenModelica compiler is missing in the System path please install it.</span>")
+            print("The OpenModelica compiler is missing in the System path please install it" )
+            raise
+
+    def add_unit_operations(self,unitop):
+        self.unit_operations.append(unitop)
+
+    def remove_unit_operations(self,unitop):
+        self.unit_operations.remove(unitop)
+
+    def add_compound_list(self,C):
+        self.compounds = C
+    
+    def send_for_simulation_Eqn(self,msg):
+        self.result_data = []
+        self.omc_path = self.get_omc_path(msg)
+        #print(self.omc_path)
+        
+        if self.sim_method == 'Eqn':
+            simpath = self.eqn_mos_path
+            os.chdir(self.sim_dir_path)
+            startupinfo = STARTUPINFO
+            startupinfo.dwFlags |= STARTF_USESHOWWINDOW
+            self.process = Popen([self.omc_path, '-s',simpath], stdout=PIPE, stderr=PIPE, startupinfo=startupinfo)
+            self.stdout, self.stderr = self.process.communicate()
+           
+            os.chdir(self.root_dir)
+            if ('timeSimulation = 0.0,\n' in self.stdout.decode("utf-8")):
+                self.result_data = []
+            else:
+                csvpath = os.path.join(self.sim_dir_path,'Flowsheet_res.csv')
+                with open (csvpath,'r') as resultFile:
+                    self.result_data = []
+                    csvreader = csv.reader(resultFile,delimiter=',')
+                    for row in csvreader:
+                        self.result_data.append(row)
+
+    def send_for_simulation_SM(self,unitop):
+        self.result_data = []
+        self.omc_path = self.get_omc_path()
+        os.chdir(self.sim_dir_path)
+        self.process = Popen([self.omc_path, '-s',unitop.name,'.mos'], stdout=PIPE, stderr=PIPE)
+        stdout, stderr = self.process.communicate()
+        # print("############### StdOut ################")
+        # print(stdout)
+        self.result_data = []
+        #print('Simulating '+unitop.name+'...')
+        csvpath = os.path.join(self.sim_dir_path,unitop.name+'_res.csv')
+        with open(csvpath,'r') as resultFile:
+            csvreader = csv.reader(resultFile,delimiter=',')
+            for row in csvreader:
+                self.result_data.append(row)
+        self.ext_data()
+
+    def ext_data(self):
+        for unit in self.unit_operations:
+            if unit[0].type == 'MaterialStream':
+                for key, value in unit[0].Prop.items():
+                    property_name = unit[0].name + '.' + key
+                    if property_name in self.result_data[0]:
+                        ind = self.result_data[0].index(property_name)
+                        resultval = str(self.result_data[-1][ind])
+                        unit[0].Prop[key] = resultval
+             
+    def simulate_EQN(self,msg):
+        self.data = []
+        self.sim_method = 'Eqn'
+        self.data.append("model Flowsheet\n")
+        
+        tempCompounds = self.compounds
+        for c in tempCompounds:
+            CompName = c
+            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")
+            self.data.append("parameter database." + CompName +' '+ CompName + "; \n")
+            tempCompounds[tempCompounds.index(c)] = CompName
+
+        self.data.append("parameter Integer Nc = " + str(len(tempCompounds)) + ";\n")
+        self.data.append("parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] = {" +
+                         str(tempCompounds).strip('[').strip(']').replace("'", "") + "};\n")
+
+        for unitop in self.unit_operations:
+            if unitop.type != 'MaterialStream':
+                self.data.append(unitop.OM_Flowsheet_Initialize())
+            else:
+                self.data.append(unitop.OM_Flowsheet_Initialize(self.compounds))
+                    
+        self.data.append("equation\n")
+        
+        self.outlist = []
+        self.stm = ['MaterialStream','EngStm']
+        for unitop in self.unit_operations:
+            if unitop.type not in self.stm:
+                for j in unitop.output_stms.values():
+                    self.outlist.append(j)  
+                
+        for unitop in self.unit_operations:
+            if unitop not in self.outlist:
+                if unitop.type == 'MaterialStream':
+                    self.data.append(unitop.OM_Flowsheet_Equation(self.compounds,'Eqn'))
+                else:
+                    self.data.append(unitop.OM_Flowsheet_Equation())
+            else:
+                pass
+        with open(self.Flomo_path, 'w') as txtfile:
+            for d in self.data:
+                txtfile.write(str(d))
+            txtfile.write('end Flowsheet;\n')
+        #print(self.eqn_mos_path)
+        with open(self.eqn_mos_path, 'w') as mosFile:
+            mosFile.write('loadModel(Modelica);\n')
+            mosFile.write('loadFile(\"Simulator/package.mo\");\n')
+            mosFile.write('loadFile(\"database.mo\");\n')
+            mosFile.write('loadFile(\"Flowsheet.mo\");\n')
+            mosFile.write('simulate(Flowsheet, outputFormat=\"csv\", stopTime=1.0, numberOfIntervals=1);\n')
+        
+        #print('Initiating Simulation in Equation Oriented Mode')
+
+        self.send_for_simulation_Eqn(msg)
+
+    def simulate_SM(self,ip,op):
+        self.sim_method = 'SM'
+        self.data = []
+        self.result_data = []
+        self.unit = []
+        self.csvlist = []
+       
+        for i in ip:
+            common = ip[i]
+           
+            for k,v in op.items():
+                if(set(v) & set(common)):
+                    if((i in self.unit) and (k in self.unit)):
+                        pass
+                    elif(i in self.unit):
+                        self.unit.insert(self.unit.index(i),k)
+                    elif(k in self.unit):
+                        self.unit.append(i)
+                    else:
+                        self.unit.append(k)
+                        self.unit.append(i)
+                
+        for unitop in self.unit:
+            os.chdir(self.root_dir)
+            self.data = []
+            if unitop.type not in ['MaterialStream','EngStm']:
+                inpstms = unitop.input_stms
+                outstms = unitop.output_stms
+                
+                try:
+                    engstms = unitop.EngStms
+                except:
+                    engstms = None
+
+                self.data.append("model "+unitop.name.lower()+'\n')
+                
+                for c in self.compounds:
+                    c = c.title()
+                    lcase = c.lower()
+                    self.data.append("parameter Simulator.Files.Chemsep_Database." + c +' '+ c + "; \n")
+                
+                self.data.append(unitop.OM_Flowsheet_Initialize())
+                
+                if type(outstms) is list:
+                    for stm in outstms:
+                        self.data.append(stm.OM_Flowsheet_Initialize())
+                else:
+                    self.data.append(outstms.OM_Flowsheet_Initialize())
+                
+                if engstms:
+                    self.data.append(engstms.OM_Flowsheet_Initialize())
+
+                if type(inpstms) is list:
+                    for stm in inpstms:
+                        self.data.append(stm.OM_Flowsheet_Initialize())
+                else:
+                    self.data.append(inpstms.OM_Flowsheet_Initialize())
+                
+                self.data.append('equation\n')
+                self.data.append(unitop.OM_Flowsheet_Equation())
+                
+                if type(inpstms) is list:
+                    for stm in inpstms:
+                        self.data.append(stm.OM_Flowsheet_Equation())
+                else:
+                    self.data.append(inpstms.OM_Flowsheet_Equation())
+
+                unitmofile = os.path.join(self.sim_dir_path,unitop.name.lower()+'.mo')
+
+                with open(unitmofile,'w') as unitFile:
+                    for d in self.data:
+                        unitFile.write(d)
+                    unitFile.write('end '+unitop.name.lower()+';\n')
+                
+                unitmosfile = os.path.join(self.sim_dir_path,unitop.name.lower()+'.mos')
+                with open(unitmosfile, 'w') as mosFile:
+                    mosFile.write('loadModel(Modelica);\n')
+                    mosFile.write("loadFile(\"Simulator\package.mo\");\n")
+                
+                    mosFile.write("loadFile(\""+unitop.name.lower()+".mo\");\n")
+                    mosFile.write("simulate("+unitop.name.lower()+", outputFormat=\"csv\", stopTime=1.0, numberOfIntervals=1);\n")
+
+                #print("Initiating simulation in Sequential Modular Mode")
+                self.omc_path = self.get_omc_path()
+                os.chdir(self.sim_dir_path)
+                sim = os.path.join(self.sim_dir_path,unitop.name.lower()+'.mos')
+                self.process = Popen([self.omc_path, '-s',sim], stdout=PIPE, stderr=PIPE)
+                self.stdout, self.stderr = self.process.communicate()
+                os.chdir(self.root_dir)
+                
+                # print("############### StdOut ################")
+                # print(self.stdout)
+                # print("############### StdErr ################")
+                # print(self.stderr)
+                # print('Simulating '+unitop.name.lower()+'...')
+                csvpath = os.path.join(self.sim_dir_path,unitop.name.lower()+'_res.csv')
+                
+                self.csvlist.append(csvpath)
+                
+                with open(csvpath,'r') as resultFile:
+                    csvreader = csv.reader(resultFile,delimiter=',')
+                    for row in csvreader:
+                        self.result_data.append(row)
+                
+                os.chdir(self.root_dir)
+                if type(inpstms) is list:
+                    for stm in inpstms:
+                        for key,value in stm.Prop.items():
+                            property_name = stm.name + '.' + key
+                            if property_name in self.result_data[0]:
+                                ind = self.result_data[0].index(property_name)
+                                resultval = str(self.result_data[-1][ind])
+                                stm.Prop[key] = resultval
+                else:
+                    for key, value in inpstms.Prop.items():
+                            property_name = inpstms.name + '.' + key
+                            if property_name in self.result_data[0]:
+                                ind = self.result_data[0].index(property_name)
+                                resultval = str(self.result_data[-1][ind])
+                                inpstms.Prop[key] = resultval
+
+                if type(outstms) is list:
+                    for stm in outstms:
+                        for key, value in stm.Prop.items():
+                            property_name = stm.name + '.' + key
+                            if property_name in self.result_data[0]:
+                                ind = self.result_data[0].index(property_name)
+                                resultval = str(self.result_data[-1][ind])
+                                stm.Prop[key] = resultval
+                else:
+                    for key, value in outstms.Prop.items():
+                            property_name = outstms.name + '.' + key
+                            if property_name in self.result_data[0]:
+                                ind = self.result_data[0].index(property_name)
+                                resultval = str(self.result_data[-1][ind])
+                                outstms.Prop[key] = resultval
+        
+        self.dataframes = [pd.read_csv(i) for i in self.csvlist]
+        os.chdir(self.sim_dir_path)
+        dffinal = pd.concat(self.dataframes,axis=1)
+        dffinal.to_csv('FlowsheetSEQ.csv',index=False)
+        self.result_data.clear()
+        with open(os.path.join(self.sim_dir_path+'/FlowsheetSEQ.csv'),'r') as resultFile:
+                    csvreader = csv.reader(resultFile,delimiter=',')
+                    for row in csvreader:
+                        self.result_data.append(row)
diff --git a/src/main/python/OMChem/Heater.py b/src/main/python/OMChem/Heater.py
new file mode 100644
index 0000000..a24253d
--- /dev/null
+++ b/src/main/python/OMChem/Heater.py
@@ -0,0 +1,75 @@
+from OMChem.EngStm import EngStm
+class Heater():
+    counter = 1
+    def __init__(self,name='Heater',PressureDrop = None, eff = None):
+        self.PressureDrop = PressureDrop
+        self.eff = eff
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = None
+        self.EngStms = EngStm(name='EngStm'+name)
+        self.type = 'Heater'
+        self.mode = None
+        self.modeVal = None
+
+        self.Prop = {
+                'pressDrop':None,
+                'eff':None,
+                'outT':None,
+                'tempInc':None,
+                'heatAdd':None,
+            }
+
+        # new 
+        self.name = name + str(Heater.counter) 
+        self.no_of_input = 1 
+        self.no_of_output = 1  
+        Heater.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def modesList(self):
+        return ["heatAdd","outT","outVapPhasMolFrac","tempInc","enFlo"]
+
+    def paramgetter(self,mode="heatAdd"):
+        self.mode = mode
+        dict = {"PressureDrop":None,"eff":None,self.mode:None}
+        return dict
+        
+    def paramsetter(self,dict):
+        
+        self.PressureDrop = dict['PressureDrop']
+        self.eff = dict['eff']
+        self.modeVal = dict[self.mode]
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStms.name+';\n'
+        self.OM_data_init = self.OM_data_init + (
+        "Simulator.Unit_Operations.Heater " + self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")
+        self.OM_data_init = self.OM_data_init + 'pressDrop = ' + str(self.PressureDrop) +','
+        self.OM_data_init = self.OM_data_init + 'eff = ' + str(self.eff) + ');\n'
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' +  self.name + '.inlet' + ');\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.outlet,' + self.OutputStms[0].name + '.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.EngStms.name + '.outlet,' + self.name + '.energy);\n')
+
+        if(self.mode =="enFlo"):
+            self.OM_data_eqn = self.OM_data_eqn + (self.EngStms.name+'.'+self.mode+'='+ self.modeVal + ';\n')
+        else:    
+            self.OM_data_eqn = self.OM_data_eqn + (self.name+'.'+self.mode+'='+ self.modeVal + ';\n')
+        return self.OM_data_eqn
diff --git a/src/main/python/OMChem/Mixer.py b/src/main/python/OMChem/Mixer.py
new file mode 100644
index 0000000..c726cdc
--- /dev/null
+++ b/src/main/python/OMChem/Mixer.py
@@ -0,0 +1,58 @@
+class Mixer():
+    counter = 1 #
+    def __init__(self,name='Mixer',NOI=5,Pcal = 'Inlet_Average'):
+        self.NOI = NOI
+        self.Pcal = Pcal
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = []
+        self.OutputStms = None
+        self.type = 'Mixer'
+
+        # new 
+        self.name = name + str(Mixer.counter) 
+        self.no_of_input = 4 
+        self.no_of_output = 1  
+        Mixer.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def modesList(self):
+        return []   
+
+    def paramgetter(self,mode=None):
+        dict = {}
+        return dict
+
+    def paramsetter(self,dict):
+        self.NOI = dict["NOI"]
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        comp_count = len(addedcomp)
+        
+        self.OM_data_init = self.OM_data_init + (
+        "Simulator.Unit_Operations.Mixer " + self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")
+        self.OM_data_init = self.OM_data_init + ("outPress = \""+self.Pcal+"\",NI=" + str(self.NOI) + ");\n")
+        return self.OM_data_init
+
+    def connect(self,InputStms = [],OutputStms = None):
+        self.NOI=len(InputStms)
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        comp_count = len(addedcomp)
+        strcount = 1
+        for strm in self.InputStms:
+            self.OM_data_eqn = self.OM_data_eqn + (
+            'connect(' + strm.name + '.outlet,' + self.name + '.inlet[' + str(strcount) + ']);\n')
+            strcount += 1
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.outlet,' + self.OutputStms[0].name + '.inlet);\n')
+        return self.OM_data_eqn
diff --git a/src/main/python/OMChem/Pump.py b/src/main/python/OMChem/Pump.py
new file mode 100644
index 0000000..e9b9149
--- /dev/null
+++ b/src/main/python/OMChem/Pump.py
@@ -0,0 +1,62 @@
+from OMChem.EngStm import EngStm
+class Pump():
+    counter = 1
+    def __init__(self,name='Pump',eff = None):
+        self.eff = eff
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = None
+        self.EngStms = EngStm(name='EngStm'+name)
+        self.type = 'Pump'
+        self.mode = None
+        self.modeVal = None
+        # new 
+        self.name = name + str(Pump.counter) 
+        self.no_of_input = 1 
+        self.no_of_output = 1  
+        Pump.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def modesList(self):
+        return ["pressInc","outP","reqPow","enFlo"]
+
+    def paramgetter(self,mode="pressInc"):
+        self.mode = mode
+        dict = {"eff":None,self.mode:None}
+        return dict
+        
+    def paramsetter(self,dict):
+        self.eff = dict['eff']
+        self.modeVal = dict[self.mode]
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStms.name+';\n'
+        self.OM_data_init = self.OM_data_init + (
+        "Simulator.Unit_Operations.Centrifugal_Pump " + self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")
+        self.OM_data_init = self.OM_data_init + 'eff = ' + str(self.eff) + ');\n'
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' +  self.name + '.inlet' + ');\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.outlet,' + self.OutputStms[0].name + '.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.EngStms.name + '.outlet,' + self.name + '.energy);\n')
+
+        if(self.mode =="enFlo"):
+            self.OM_data_eqn = self.OM_data_eqn + (self.EngStms.name+'.'+self.mode+'='+ self.modeVal + ';\n')
+        else:    
+            self.OM_data_eqn = self.OM_data_eqn + (self.name+'.'+self.mode+'='+ self.modeVal + ';\n')
+        return self.OM_data_eqn
diff --git a/src/main/python/OMChem/ShortcutColumn.py b/src/main/python/OMChem/ShortcutColumn.py
new file mode 100644
index 0000000..60d9d1b
--- /dev/null
+++ b/src/main/python/OMChem/ShortcutColumn.py
@@ -0,0 +1,86 @@
+from OMChem.EngStm import EngStm
+class ShortcutColumn():
+    counter = 1
+    def __init__(self,name='ShortCol',condP = None, rebP = None, LKey = None, HKey = None):
+        self.condP = condP
+        self.rebP = rebP
+        self.LKey = LKey
+        self.HKey = HKey
+        self.LKeyMolFrac = None
+        self.HKeyMolFrac = None
+        self.name = name + str(ShortcutColumn.counter) 
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = None
+       
+        self.EngStm1 = EngStm(name='EngStm1'+self.name)
+        self.EngStm2 = EngStm(name='EngStm2'+self.name)
+        self.count = ShortcutColumn.counter
+        self.condType=''
+        self.actR = None
+        self.thermoPackage='Raoults_Law'
+        self.type = 'ShortCol'
+
+        # new 
+        self.no_of_input = 1 
+        self.no_of_output = 2  
+        ShortcutColumn.counter += 1 
+
+    def getname(self):
+        return self.name
+
+    def modesList(self):
+        return []
+
+    def paramgetter(self,mode=None):
+        dict = { "HKey" : None,"LKey" :None,"HKeyMolFrac":None,"LKeyMolFrac":None,"condType":None,"thermoPackage":None,"condP":None,"rebP":None,"actR":None}
+        return dict
+        
+    def paramsetter(self,dict):
+        self.HKey = dict["HKey"]
+        self.LKey = dict["LKey"]
+        self.HKeyMolFrac = dict["HKeyMolFrac"]
+        self.LKeyMolFrac=dict["LKeyMolFrac"]
+        self.condP=dict["condP"]
+        self.rebP=dict["rebP"]
+        self.actR=dict["actR"]
+        self.condType=dict["condType"]
+        self.thermoPackage=dict["thermoPackage"]
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        self.OM_data_init = self.OM_data_init + ("model sc"+str(self.count)+"\n")
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Unit_Operations.Shortcut_Column;\n" )
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Files.Thermodynamic_Packages."+self.thermoPackage+";\n")
+        self.OM_data_init = self.OM_data_init + ("end sc"+str(self.count)+";\n")
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + "sc"+str(self.count)+ " " + self.name + "(Nc = " + str(comp_count)
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")
+        self.OM_data_init = self.OM_data_init + 'condType = ' + "\""+self.condType+"\""+','
+        self.OM_data_init = self.OM_data_init + 'HKey = ' + str(self.HKey) +','
+        self.OM_data_init = self.OM_data_init + 'LKey = ' + str(self.LKey)  + ');\n'
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStm1.name+';\n'
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStm2.name+';\n'
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+       
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.reboiler_duty,' +self.EngStm1.name +'.outlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.EngStm2.name+'.inlet,' + self.name + '.condenser_duty);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.distillate,' + self.OutputStms[0].name + '.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.bottoms,' + self.OutputStms[1].name + '.inlet);\n')
+        
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' + self.name + '.feed);\n')
+        self.OM_data_eqn = self.OM_data_eqn + self.name +'.rebP = ' + self.rebP + ';\n'
+        self.OM_data_eqn = self.OM_data_eqn + self.name +'.condP = ' + self.condP + ';\n'
+        self.OM_data_eqn = self.OM_data_eqn + self.name +'.mixMolFrac[2,'+self.name+'.LKey]='+self.LKeyMolFrac+ ';\n'
+        self.OM_data_eqn = self.OM_data_eqn + self.name +'.mixMolFrac[3,'+self.name+'.HKey]='+self.HKeyMolFrac+ ';\n'
+        self.OM_data_eqn = self.OM_data_eqn + self.name +'.actR=' + self.actR + ';\n'
+        return self.OM_data_eqn
\ No newline at end of file
diff --git a/src/main/python/OMChem/Splitter.py b/src/main/python/OMChem/Splitter.py
new file mode 100644
index 0000000..98d41ab
--- /dev/null
+++ b/src/main/python/OMChem/Splitter.py
@@ -0,0 +1,61 @@
+
+import json
+class Splitter():
+    counter = 1
+    def __init__(self,name='Splitter',NOO=5,calcType = 'Molar_Flow',specval = [50,50]):
+        self.NOO = NOO
+        self.calcType = calcType
+        self.name = name
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = []
+        self.type = 'Splitter'
+        self.specval = json.dumps(specval).replace('[','{').replace(']','}')
+        # new 
+        self.name = name + str(Splitter.counter) 
+        self.no_of_input = 1 
+        self.no_of_output = 4  
+        Splitter.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def modesList(self):
+        return []   
+    def paramgetter(self,mode=None):
+        dict = {"NOO":None}
+        return dict
+    def paramsetter(self,dict):
+        self.NOI = dict["NOO"]
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + (
+        "Simulator.Unit_Operations.Splitter " + self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")
+        self.OM_data_init = self.OM_data_init + ("calcType = \""+self.calcType+"\",NO=" + str(self.NOO) + ");\n")
+        return self.OM_data_init
+
+    def connect(self,InputStms = None,OutputStms = []):
+        self.NOO=len(OutputStms)
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        comp_count = len(addedcomp)
+        strcount = 1
+        #print("Output#########",self.OutputStms)
+        for strm in self.OutputStms:
+            self.OM_data_eqn = self.OM_data_eqn + (
+            'connect(' + strm.name + '.inlet,' + self.name + '.outlet[' + str(strcount) + ']);\n')
+            strcount += 1
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.inlet,' + self.InputStms[0].name + '.outlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + self.name +'.' +'specVal =' + self.specval +';\n'
+        return self.OM_data_eqn
diff --git a/src/main/python/OMChem/Valve.py b/src/main/python/OMChem/Valve.py
new file mode 100644
index 0000000..05fa55f
--- /dev/null
+++ b/src/main/python/OMChem/Valve.py
@@ -0,0 +1,58 @@
+class Valve():
+    counter = 1
+    def __init__(self,name='Valve'):
+        self.mode = None
+        self.modeVal = None
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = None
+        self.type = 'Valve'
+
+        self.Prop = {
+                'pressDrop':None,
+                'outP':None
+            }
+        # new 
+        self.name = name + str(Valve.counter) 
+        self.no_of_input = 1 
+        self.no_of_output = 1  
+        Valve.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def modesList(self):
+        return ["pressDrop","outP"]
+
+    def paramgetter(self,mode="pressDrop"):
+        self.mode = mode
+        dict = {self.mode:None}
+        return dict
+
+    def paramsetter(self,dict):
+
+        self.modeVal = dict[self.mode]      
+
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + (
+        "Simulator.Unit_Operations.Valve " + self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("});\n")
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' +  self.name + '.inlet' + ');\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.outlet,' + self.OutputStms[0].name + '.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + (self.name+'.'+self.mode+'='+ self.modeVal + ';\n')
+        return self.OM_data_eqn
\ No newline at end of file
diff --git a/src/main/python/OMChem/__init__.py b/src/main/python/OMChem/__init__.py
new file mode 100644
index 0000000..e69de29
--- /dev/null
+++ b/src/main/python/OMChem/__init__.py
diff --git a/src/main/python/OMChem/__pycache__/EngStm.cpython-36.pyc b/src/main/python/OMChem/__pycache__/EngStm.cpython-36.pyc
new file mode 100644
index 0000000..a5f5a78
--- /dev/null
+++ b/src/main/python/OMChem/__pycache__/EngStm.cpython-36.pyc
diff --git a/src/main/python/OMChem/__pycache__/EngStm.cpython-37.pyc b/src/main/python/OMChem/__pycache__/EngStm.cpython-37.pyc
new file mode 100644
index 0000000..d065cdb
--- /dev/null
+++ b/src/main/python/OMChem/__pycache__/EngStm.cpython-37.pyc
diff --git a/src/main/python/OMChem/__pycache__/Flowsheet.cpython-36.pyc b/src/main/python/OMChem/__pycache__/Flowsheet.cpython-36.pyc
new file mode 100644
index 0000000..4039084
--- /dev/null
+++ b/src/main/python/OMChem/__pycache__/Flowsheet.cpython-36.pyc
diff --git a/src/main/python/OMChem/__pycache__/Flowsheet.cpython-37.pyc b/src/main/python/OMChem/__pycache__/Flowsheet.cpython-37.pyc
new file mode 100644
index 0000000..1a76d03
--- /dev/null
+++ b/src/main/python/OMChem/__pycache__/Flowsheet.cpython-37.pyc
diff --git a/src/main/python/OMChem/__pycache__/__init__.cpython-37.pyc b/src/main/python/OMChem/__pycache__/__init__.cpython-37.pyc
new file mode 100644
index 0000000..ee871fe
--- /dev/null
+++ b/src/main/python/OMChem/__pycache__/__init__.cpython-37.pyc
diff --git a/src/main/python/OMChem/adiabatic_comp.py b/src/main/python/OMChem/adiabatic_comp.py
new file mode 100644
index 0000000..bda0476
--- /dev/null
+++ b/src/main/python/OMChem/adiabatic_comp.py
@@ -0,0 +1,67 @@
+from OMChem.EngStm import EngStm
+class AdiabaticCompressor():
+    counter = 1
+    def __init__(self,name='AdiabaticCompressor', eff = None):
+        self.eff = eff
+        self.name = name + str(AdiabaticCompressor.counter) 
+
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = None
+        self.EngStms = EngStm(name='EngStm'+self.name)
+        self.count = AdiabaticCompressor.counter
+        self.type = 'AdiabaticCompressor'
+        self.thermoPackage ="RaoultsLaw"
+        self.mode = None
+        self.modeVal = None
+        # new 
+        self.no_of_input = 1 
+        self.no_of_output = 1  
+        AdiabaticCompressor.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def modesList(self):
+        return ["pressInc","outP","reqPow"]
+
+    def paramgetter(self,mode="pressInc"):
+        self.mode = mode
+        dict = {"eff":None,self.mode:None,"thermoPackage":None}
+        return dict
+        
+    def paramsetter(self,dict):
+        self.eff = dict['eff']
+        self.modeVal = dict[self.mode]
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStms.name+';\n'
+        self.OM_data_init = self.OM_data_init + ("model adiaComp"+str(self.count)+"\n")
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Unit_Operations.Adiabatic_Compressor;\n" )
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Files.Thermodynamic_Packages."+self.thermoPackage+";\n")
+        self.OM_data_init = self.OM_data_init + ("end adiaComp"+str(self.count)+";\n")
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + (
+        "adiaComp"+str(self.count)+" "+ self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")+("eff="+self.eff+");\n")
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' +  self.name + '.inlet' + ');\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.outlet,' + self.OutputStms[0].name + '.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.EngStms.name + '.outlet,' + self.name + '.energy);\n')
+  
+        self.OM_data_eqn = self.OM_data_eqn + (self.name+'.'+self.mode+'='+ self.modeVal + ';\n')
+
+        return self.OM_data_eqn
+        
diff --git a/src/main/python/OMChem/adiabatic_exp.py b/src/main/python/OMChem/adiabatic_exp.py
new file mode 100644
index 0000000..48381fa
--- /dev/null
+++ b/src/main/python/OMChem/adiabatic_exp.py
@@ -0,0 +1,67 @@
+from OMChem.EngStm import EngStm
+class AdiabaticExpander():
+    counter = 1
+    def __init__(self,name='AdiabaticExpander', eff = None):
+        self.eff = eff
+        self.name = name + str(AdiabaticExpander.counter) 
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.InputStms = None
+        self.OutputStms = None
+        self.EngStms = EngStm(name='EngStm'+self.name)
+        self.count = AdiabaticExpander.counter
+        self.type = 'AdiabaticExpander'
+        self.thermoPackage ="RaoultsLaw"
+        self.mode = None
+        self.modeVal = None
+
+        # new 
+        self.no_of_input = 1 
+        self.no_of_output = 1  
+        AdiabaticExpander.counter += 1  
+
+    def getname(self):
+        return self.name
+
+    def connect(self,InputStms = None,OutputStms = None):
+        self.InputStms = InputStms
+        self.OutputStms = OutputStms
+
+    def modesList(self):
+        return ["pressDrop","outP","genPow"]
+
+    def paramgetter(self,mode="pressDrop"):
+        self.mode = mode
+        dict = {"eff":None,self.mode:None,"thermoPackage":None}
+        return dict
+        
+    def paramsetter(self,dict):
+        self.eff = dict['eff']
+        self.modeVal = dict[self.mode]
+
+    def OM_Flowsheet_Init(self, addedcomp):
+        self.OM_data_init = ''
+        self.OM_data_init = self.OM_data_init + 'Simulator.Streams.Energy_Stream '+self.EngStms.name+';\n'
+        self.OM_data_init = self.OM_data_init + ("model adiaComp"+str(self.count)+"\n")
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Unit_Operations.Adiabatic_Expander;\n" )
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Files.Thermodynamic_Packages."+self.thermoPackage+";\n")
+        self.OM_data_init = self.OM_data_init + ("end adiaComp"+str(self.count)+";\n")
+        comp_count = len(addedcomp)
+        self.OM_data_init = self.OM_data_init + (
+        "adiaComp"+str(self.count)+" "+ self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (",comp = {")
+        comp = str(addedcomp).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")+("eff="+self.eff+");\n")
+        return self.OM_data_init
+
+    def OM_Flowsheet_Eqn(self, addedcomp):
+        self.OM_data_eqn = ''
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.InputStms[0].name + '.outlet,' +  self.name + '.inlet' + ');\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.name + '.outlet,' + self.OutputStms[0].name + '.inlet);\n')
+        self.OM_data_eqn = self.OM_data_eqn + ('connect(' + self.EngStms.name + '.outlet,' + self.name + '.energy);\n')
+  
+        self.OM_data_eqn = self.OM_data_eqn + (self.name+'.'+self.mode+'='+ self.modeVal + ';\n')
+
+        return self.OM_data_eqn
+        
diff --git a/src/main/python/OMChem/setup.py b/src/main/python/OMChem/setup.py
new file mode 100644
index 0000000..037da1c
--- /dev/null
+++ b/src/main/python/OMChem/setup.py
@@ -0,0 +1,54 @@
+try:
+    from setuptools import setup
+except ImportError:
+    from distutils.core import setup
+
+from subprocess import call
+import sys
+import os
+# Python 3.3 offers shutil.which()
+from distutils import spawn
+
+def warningOrError(errorOnFailure, msg):
+  if errorOnFailure:
+    raise Exception(msg)
+  else:
+    print(msg)
+
+def generateIDL():
+  errorOnFailure = not os.path.exists(os.path.join(os.path.dirname(__file__), 'OMPythonIDL', '__init__.py'))
+  try:
+    omhome = os.path.split(os.path.split(os.path.realpath(spawn.find_executable("omc")))[0])[0]
+  except:
+    omhome = None
+  omhome = omhome or os.environ.get('OPENMODELICAHOME')
+
+  if omhome is None:
+    warningOrError(errorOnFailure, "Failed to find OPENMODELICAHOME (searched for environment variable as well as the omc executable)")
+    return
+  idl = os.path.join(omhome,"share","omc","omc_communication.idl")
+  if not os.path.exists(idl):
+    warningOrError(errorOnFailure, "Path not found: %s" % idl)
+    return
+
+  if 0 is not call(["omniidl","-bpython","-Wbglobal=_OMCIDL","-Wbpackage=OMPythonIDL",idl]):
+    warningOrError(errorOnFailure, "omniidl command failed")
+    return
+  print("Generated OMPythonIDL files")
+generateIDL()
+
+setup(name='OMPython',
+      version='2.0.7',
+      description='OpenModelica-Python API Interface',
+      author='Anand Kalaiarasi Ganeson',
+      author_email='ganan642@student.liu.se',
+      maintainer='Adeel Asghar',
+      maintainer_email='adeel.asghar@liu.se',
+      license="BSD, OSMC-PL 1.2, GPL (user's choice)",
+      url='http://openmodelica.org/',
+      packages=['OMPython', 'OMPython.OMParser', 'OMPythonIDL', 'OMPythonIDL._OMCIDL', 'OMPythonIDL._OMCIDL__POA'],
+      install_requires=[
+        # 'omniORB', # Required, but not part of pypi
+        'pyparsing'
+      ]
+)
diff --git a/src/main/python/mainApp.py b/src/main/python/mainApp.py
new file mode 100644
index 0000000..bd6638c
--- /dev/null
+++ b/src/main/python/mainApp.py
@@ -0,0 +1,417 @@
+import pickle
+import threading
+import os
+import ctypes
+import sys
+import datetime
+from functools import partial
+import pyuac
+
+current = os.path.dirname(os.path.realpath(__file__))
+parentPath = os.path.dirname(current)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+import PyQt5.QtGui as QtGui
+import PyQt5.QtCore as QtCore
+import PyQt5.QtWidgets as QtWidgets
+
+from python.OMChem.Flowsheet import Flowsheet
+from python.utils.ComponentSelector import *
+from python.utils.Bin_Phase_env import *
+from python.utils.UnitOperations import *
+from python.utils.Streams import *
+from python.utils.Container import *
+from python.utils.Graphics import *
+
+ui,_ = loadUiType(parentPath+'/ui/utils/main.ui')
+
+'''
+    MainApp class is responsible for all the main App Ui operations
+'''
+class MainApp(QMainWindow,ui):
+    '''
+        Initializing the application
+    '''
+    def __init__(self):
+        QMainWindow.__init__(self)
+        
+        # Loading and setting up style sheet
+        self.setupUi(self)
+        
+        # Initializing attributes
+        self.zoom_count = 0
+        self.thrd = None
+
+        # Creating instances of classes for the main app
+        self.container = Container(self.textBrowser, self.graphicsView)        
+        self.comp = ComponentSelector(self)
+        self.comp.accepted.connect(self.update_compounds)
+
+        # Setting up interactive canvas        
+        self.scene = self.container.graphics.get_scene()
+        self.graphicsView.setScene(self.scene)
+        self.graphicsView.setMouseTracking(True)
+        self.graphicsView.keyPressEvent=self.delete_call
+        
+        self.setDockNestingEnabled(True)
+        self.setCorner(Qt.BottomRightCorner, Qt.RightDockWidgetArea)
+        self.setCorner(Qt.BottomLeftCorner, Qt.LeftDockWidgetArea)
+        self.addDockWidget(Qt.BottomDockWidgetArea,self.dockWidget_2)
+        
+        # Calling initialisation 
+        self.menu_bar()
+        self.button_handler()
+        self.comp.show()
+
+    '''
+        MenuBar function handels all the all the operations of 
+        menu bar like new,zoom,comounds selector, simulation options.
+    '''    
+    def menu_bar(self):
+        self.actionSelectCompounds.triggered.connect(self.select_compounds)
+        self.actionSelectCompounds.setShortcut('Ctrl+C')
+        self.actionZoomIn.triggered.connect(self.zoom_in)
+        self.actionZoomIn.setShortcut('Ctrl++')
+        self.actionNew.triggered.connect(self.new)
+        self.actionNew.setShortcut('Ctrl+N')
+        self.actionZoomOut.triggered.connect(self.zoom_out)
+        self.actionZoomOut.setShortcut('Ctrl+-')
+        self.actionResetZoom.triggered.connect(self.zoom_reset)
+        self.actionResetZoom.setShortcut('Ctrl+R')
+        self.actionHelp.triggered.connect(self.help)
+        self.actionHelp.setShortcut('Ctrl+H')
+        self.actionSequentialMode.triggered.connect(partial(self.simulate,'SM'))
+        self.actionSequentialMode.setShortcut('Ctrl+M') 
+        self.actionEquationOriented.triggered.connect(partial(self.simulate,'EQN'))
+        self.actionEquationOriented.setShortcut('Ctrl+E')
+        # self.actionUndo.triggered.connect(self.undo)
+        # self.actionUndo.setShortcut('Ctrl+Z')
+        # self.actionRedo.triggered.connect(self.redo)
+        # self.actionRedo.setShortcut('Ctrl+Y')
+        self.actionSave.triggered.connect(self.save)
+        self.actionSave.setShortcut('Ctrl+S')
+        self.actionOpen.triggered.connect(self.open)
+        self.actionOpen.setShortcut('Ctrl+O')
+        self.actionTerminate.triggered.connect(self.terminate)
+        self.actionTerminate.setShortcut('Ctrl+T')
+        self.actionBinaryPhaseEnvelope.triggered.connect(self.bin_phase_env)
+        self.actionViewMessageBrowser.triggered.connect(self.toggle_message_browser_view)
+        self.actionViewComponentSelector.triggered.connect(self.toggle_component_selector_view)
+        
+    '''
+        Handles all the buttons of different components.
+    '''
+    def button_handler(self):
+        self.pushButton.clicked.connect(partial(self.component,'MaterialStream'))
+        self.pushButton_7.clicked.connect(partial(self.component,'Mixer'))
+        self.pushButton_14.clicked.connect(partial(self.component,'CentrifugalPump'))
+        self.pushButton_26.clicked.connect(partial(self.component,'DistillationColumn'))
+        self.pushButton_18.clicked.connect(partial(self.component,'ShortcutColumn'))
+        self.pushButton_11.clicked.connect(partial(self.component,'Heater'))
+        self.pushButton_10.clicked.connect(partial(self.component,'Splitter'))
+        self.pushButton_9.clicked.connect(partial(self.component,'Flash'))
+        self.pushButton_25.clicked.connect(partial(self.component,'Valve'))
+        self.pushButton_12.clicked.connect(partial(self.component,'Cooler'))
+        self.pushButton_13.clicked.connect(partial(self.component,'CompoundSeparator'))
+        self.pushButton_15.clicked.connect(partial(self.component,'AdiabaticCompressor'))
+        self.pushButton_16.clicked.connect(partial(self.component,'AdiabaticExpander'))
+    
+    '''
+        Displays help box
+    '''
+    def help(self):
+        msgBox = QMessageBox() 
+        msgBox.setIcon(QMessageBox.Question)
+        msgBox.setTextFormat(Qt.RichText);   
+        msgBox.setText("For any Help or Suggestion you can contact us at\n contact-om@fossee.in or at <a href='https://www.fossee.in'>Visit fossee.in!</a>")
+        msgBox.setStandardButtons(QMessageBox.Ok)
+        msgBox.exec_()
+
+    '''
+        Creates Binary Phase envelope
+    '''
+    def bin_phase_env(self):
+        if len(self.comp.get_compounds())<2:
+            QMessageBox.about(self, 'Important', "Please select at least 2 Compounds first")
+            self.comp.show()
+        else: 
+            self.bin_phase = BinPhaseEnv(self.comp)
+            self.bin_phase.show() 
+
+    '''
+        Shows Compounds Selector Dialog
+    '''
+    def select_compounds(self):
+        self.comp.show()
+
+    '''
+        Updates compounds after compound selected modified during simulation creation
+    '''
+    def update_compounds(self):
+        self.container.update_compounds()
+
+
+    '''
+        Returns current time in a required particular format
+    '''
+    def current_time(self):
+        now = datetime.datetime.now()
+        time = str(now.hour) + ":" + str(now.minute) + ":" +str(now.second)
+        return time
+
+    '''
+        Simulate function is responsible for the simulation
+        of the designed flowsheet in a particular mode
+        selected by the user.
+    '''
+    def simulate(self,mode):
+        self.thrd = threading.Thread(target=self.container.simulate, args=(mode,))
+        self.thrd.start()
+    
+    '''
+        Terminate the current running simulation
+    '''
+    def terminate(self):
+        os.chdir(self.container.flowsheet.root_dir)
+        if self.thrd:
+            thread_id = self.thrd.ident
+            # print('____________________Going to terminate simulation thread with Thread ID:',thread_id,'____________________')
+            # print('____________________Going to terminate the new process created for omc____________________')
+            self.container.flowsheet.process.terminate()
+            print('____________________New process created for omc is terminated.____________________')
+            res = ctypes.pythonapi.PyThreadState_SetAsyncExc(thread_id, ctypes.py_object(SystemExit)) 
+            self.textBrowser.append("<span style=\"color:red\">["+str(self.current_time())+"]<b>Simulation Terminated.</b></span>")
+            self.container.disableInterfaceforSimulation(False)
+            # print('____________________Simulation thread terminated____________________')
+            if res > 1: 
+                ctypes.pythonapi.PyThreadState_SetAsyncExc(thread_id, 0) 
+                # print('Exception raise (Thread termination) failure')
+
+    '''
+        Resets the zoom level to default scaling
+    '''
+    def zoom_reset(self):
+        if(self.zoom_count>0):
+            for i in range(self.zoom_count):
+                self.zoomout()
+        elif(self.zoom_count<0): 
+            for i in range(abs(self.zoom_count)):
+                self.zoomin()
+
+    '''
+        ZoomOut the canvas
+    '''
+    def zoom_out(self):
+        self.graphicsView.scale(1.0/1.15,1.0/1.15)
+        self.zoom_count -=1
+    
+    '''
+        ZoomIn the canvas
+    '''
+    def zoom_in(self):
+        self.graphicsView.scale(1.15,1.15)
+        self.zoom_count +=1
+  
+    '''
+        Instantiate a NodeItem object for selected type of
+        component and added that on canvas/flowsheeting area.
+    '''    
+    def component(self,unit_operation_type):
+        if(self.comp.is_compound_selected()):
+            self.type = unit_operation_type
+            if(self.type=="MaterialStream"):
+                self.obj = MaterialStream(compound_names = compound_selected)
+            else:
+                self.obj = eval(self.type)()
+            self.container.add_unit_operation(self.obj)
+
+        else:
+            QMessageBox.about(self, 'Important', "Please Select Compounds first")
+            self.comp.show()
+
+    '''
+        New is used to delete all the existing work.
+    '''        
+    def new(self):
+        self.setWindowTitle('Untitled - Chemical Simulator GUI')
+        #self.undo_redo_helper()
+        self.comp = ComponentSelector(self)
+        self.textBrowser.append("<span>[" + str(self.current_time()) + "] <b>New</b> flowsheet is created ... </span>")
+        dock_widget_lst.clear()
+
+    '''
+        Handels all the operations which will happen when delete button is pressed.
+    '''
+    def delete_call(self,event):
+        try:
+            if event.key() == QtCore.Qt.Key_Delete:
+                l=self.scene.selectedItems()
+                self.container.delete(l)
+        except Exception as e:
+            print(e)
+
+    # '''
+    #     It helps by clearing screen and loading the objects by undo redo methods
+    # '''
+    # def undo_redo_helper(self):
+    #     for i in self.container.unit_operations:
+    #         type(i).counter = 1
+    #     self.container = None
+    #     for i in dock_widget_lst:
+    #         i.hide()
+    #         del i
+    #     lst.clear()
+    #     self.container = Container(self.textBrowser, self.graphicsView)
+
+    #     compound_selected.clear()
+    #     self.scene = self.container.graphics.get_scene()
+    #     self.graphicsView.setScene(self.scene)
+    #     self.graphicsView.setMouseTracking(True)
+    #     self.graphicsView.keyPressEvent=self.delete_call
+
+    # '''
+    #     Function for undo 
+    # '''
+    # def undo(self):
+    #     redo_data = pop('Undo')
+    #     if redo_data is not None:
+    #         push('Redo', redo_data)
+    #         undo_data = get_last_list('Undo')
+    #         messages = self.textBrowser.toPlainText()
+    #         try:
+    #             self.undo_redo_helper()
+    #             self.container.graphics.load_canvas(undo_data, self.container)
+    #             self.textBrowser.setText(messages)
+    #         except Exception as e:
+    #             print(e)
+    #             self.textBrowser.append(messages)
+    #     else:
+    #         messages = self.textBrowser.toPlainText()
+    #         self.textBrowser.setText(messages)
+    #         self.textBrowser.append("<span>[" + str(self.current_time()) + "] <b>No more undo can be done!</b>... </span>")
+
+    # '''
+    #     Function for redo 
+    # '''
+    # def redo(self):
+    #     redo_data = pop('Redo')
+    #     if redo_data is not None:
+    #         push('Undo', redo_data)
+    #         messages = self.textBrowser.toPlainText()
+    #         self.undo_redo_helper()
+    #         self.container.graphics.load_canvas(redo_data, self.container)
+    #         self.textBrowser.setText(messages)
+    #     else:
+    #         messages = self.textBrowser.toPlainText()
+    #         self.textBrowser.setText(messages)
+    #         self.textBrowser.append("<span>[" + str(self.current_time()) + "] <b>No more redo can be done!</b>... </span>")
+
+    '''
+        Function for saving the current canvas items and compound_selected
+    '''
+    def save(self):
+        data = []
+        for i in self.container.unit_operations:
+            data.append(i)
+            i.saved = True
+        data.append(compound_selected)
+        data.append(self.container.result)
+
+        file_format = 'sim'
+        initial_path = QDir.currentPath() + ' untitled.' + file_format
+        file_name, _ = QFileDialog.getSaveFileName(self, "Save As",
+                                                  initial_path, "%s Files (*.%s);; All Files (*)" %
+                                                  (file_format.upper(), file_format))
+        try:
+            with open(file_name, 'wb') as f: 
+                pickle.dump(data, f, pickle.HIGHEST_PROTOCOL)
+            fileName = file_name.split('/')[-1].split('.')[0]
+            self.setWindowTitle(fileName+' - Chemical Simulator GUI')
+        except Exception as e:
+            pass
+
+    '''
+        Function for loading previous saved canvas and simulation 
+    '''
+    def open(self):
+        try:
+            file_format = 'sim'
+            initial_path = QDir.currentPath() + 'untitled.' + file_format
+
+            file_name, _ = QFileDialog.getOpenFileName(self, "Open As",
+                                                      initial_path, "%s Files (*.%s);; All Files (*)" %
+                                                      (file_format.upper(), file_format))
+            if file_name:
+                fileName = file_name.split('/')[-1].split('.')[0]
+                self.setWindowTitle(fileName+' - Chemical Simulator GUI')
+
+                #self.undo_redo_helper()
+
+                with open(file_name, 'rb') as f:
+                    obj = pickle.load(f)
+                temp_result = obj[-1]
+                obj.pop()
+                compound_selected = obj[-1]
+                obj.pop()
+                self.comp.set_compounds(compound_selected)
+                for i in compound_selected:
+                    self.comp.compound_selection(self.comp, i)
+                self.comp.hide()
+                self.container.graphics.load_canvas(obj, self.container)
+                self.container.result = temp_result
+                DockWidget.show_result(dock_widget_lst)
+
+                for i in dock_widget_lst:
+                    #Submitting values 
+                    i.param()
+                
+                #Disbaling input data tab for output stream
+                for i in self.container.graphics.scene.items():
+                    if (isinstance(i, NodeItem) and i.type == 'MaterialStream'):
+                        i.update_tooltip_selectedVar()
+                        no_input_lines = len(i.input[0].in_lines)
+                        no_output_lines = len(i.output[0].out_lines)
+                        if(no_input_lines>0): #Checks if material stream is input or output stream if it is output stream it continues
+                            i.obj.disableInputDataTab(i.dock_widget)
+
+        except Exception as e:
+            print(e)
+
+    '''
+        Function for toggling the display of Component Selector 
+    '''
+    def toggle_component_selector_view(self):
+        if(self.actionViewComponentSelector.isChecked()):
+            self.dockWidget.show()
+        else:
+            self.dockWidget.hide()
+
+    '''
+        Function for toggling the display of Message Browser 
+    '''
+    def toggle_message_browser_view(self):
+        if(self.actionViewMessageBrowser.isChecked()):
+            self.dockWidget_2.show()
+        else:
+            self.dockWidget_2.hide()
+    
+    
+def main():
+
+    # clean_file('Undo')
+    # clean_file('Redo')
+
+    app = QApplication(sys.argv)
+    window = MainApp()
+    window.showMaximized()
+    app.exec()
+    
+
+if __name__ == '__main__':
+    if not pyuac.isUserAdmin():
+        pyuac.runAsAdmin()
+    else:
+        main()
diff --git a/src/main/python/utils/Bin_Phase_env.py b/src/main/python/utils/Bin_Phase_env.py
new file mode 100644
index 0000000..dd6f938
--- /dev/null
+++ b/src/main/python/utils/Bin_Phase_env.py
@@ -0,0 +1,241 @@
+import sys
+import pandas as pd
+import numpy as np
+import os
+import csv
+from subprocess import Popen, PIPE
+
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+import PyQt5.QtGui as QtGui
+import PyQt5.QtCore as QtCore
+import PyQt5.QtWidgets as QtWidgets
+from PyQt5.uic import loadUiType
+
+
+import pyqtgraph as pg
+import pyqtgraph.exporters
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+ui_dialog,_ = loadUiType(parentPath+'/ui/utils/Binary_Phase_Env.ui')
+pg.CONFIG_OPTIONS['crashWarning'] = False
+
+class BinPhaseEnv(QWidget,ui_dialog):
+    def __init__(self,comp):
+        QWidget.__init__(self)
+        self.setupUi(self)
+
+        self.comp = comp
+        self.compunds = self.comp.get_compounds()
+            
+        for i in self.compunds:
+            self.comboBox.addItem(str(i))
+
+        for i in range(len(self.compunds)):
+            if i!=0:
+                self.comboBox_2.addItem(str(self.compunds[i]))
+
+        self.comboBox_2.addItem(str(self.compunds[0]))  
+
+        self.lines = [line.rstrip('\n') for line in open(parentPath+'/python/utils/thermopackage.txt')]
+        for j in self.lines:
+            self.comboBox_3.addItem(str(j))
+
+        self.radioButton.setChecked(False)
+        self.radioButton_2.setChecked(False)
+
+        self.button_handler()
+        self.counter = 1
+
+    def button_handler(self):
+        self.radioButton.clicked.connect(lambda:self.T_xy())
+        self.radioButton_2.clicked.connect(lambda:self.P_xy())
+        self.pushButton_2.clicked.connect(lambda:self.plot())
+
+    def T_xy(self):
+        self.radioButton.setChecked(True)
+        self.radioButton_2.setChecked(False)
+        for i in reversed(range(self.formLayout.count())):
+            self.formLayout.itemAt(i).widget().setParent(None)
+
+        self.first = QLineEdit()
+        self.type = "P"
+        self.other = "T"
+        self.otherunit = "(K)"
+        self.formLayout.addRow(QLabel("P(Pa)"),self.first)
+        self.points = QLineEdit()
+        self.points.setText("40")
+        self.formLayout.addRow(QLabel("Number of data points"),self.points)    
+
+    def P_xy(self):
+        self.radioButton_2.setChecked(True)
+        self.radioButton.setChecked(False)  
+        for i in reversed(range(self.formLayout.count())):
+            self.formLayout.itemAt(i).widget().setParent(None)
+
+        self.first = QLineEdit()
+        self.type = "T"
+        self.other = "P"
+        self.otherunit = "(Pa)"
+        self.points = QLineEdit()
+        self.points.setText("40")    
+        self.formLayout.addRow(QLabel("T(K)"),self.first)
+        self.formLayout.addRow(QLabel("Number of data points"),self.points)
+
+    def get_omc_path(self):
+        try:
+            self.omhome = os.environ.get('OPENMODELICAHOME')
+            if self.omhome is None:
+                self.omhome = os.path.split(os.path.split(os.path.realpath(spawn.find_executable("omc")))[0])[0]
+            elif os.path.exists('/opt/local/bin/omc'):
+                self.omhome = '/opt/local'
+            elif os.path.exists('/usr/bin/omc'):
+                self.omhome = '/usr'    
+            return os.path.join(self.omhome, 'bin', 'omc')
+        except BaseException:
+            #print("The OpenModelica compiler is missing in the System path please install it" )
+            raise
+
+    def plot(self):        
+        try:
+            val = int(self.first.text(),10)
+        except:
+            val = 0
+        try:        
+            data_points = int(self.points.text(),10)
+        except:
+            data_points = 0    
+
+        self.curr_path = os.getcwd()
+        self.sim_dir_path = os.path.join(self.curr_path,'./../Simulator')
+        self.Graphmo_path = os.path.join(self.sim_dir_path,'Graph.mo')
+        self.plot_mos_path = os.path.join(self.sim_dir_path,'PlotGraph.mos')
+
+        self.data = []
+
+        self.comp1 = self.comboBox.currentText()
+        self.comp2 = self.comboBox_2.currentText()
+        self.comp_1 = self.comboBox.currentText().split('(')[0]
+        self.comp_2 = self.comboBox_2.currentText().split('(')[0]
+
+        self.thermoPack = self.comboBox_3.currentText()
+
+        self.data.append("model Graph\n")
+        self.data.append("import data = Simulator.Files.ChemsepDatabase;\n")
+        self.data.append("parameter data."+self.comp_1+" comp1;\n")
+        self.data.append("parameter data."+self.comp_2+" comp2;\n")
+        self.data.append("extends BinaryEnvelopes."+self.thermoPack+"(Nc = 2, data_points = "+str(data_points)+ ", comp = { comp1, comp2 }, "+self.type+" = fill( "+str(val)+", "+str(data_points)+"));\n")
+        self.data.append("end Graph;")
+
+        with open(self.Graphmo_path, 'w') as txtfile:
+            for d in self.data:
+                txtfile.write(str(d))
+
+        with open(self.plot_mos_path, 'w') as mosFile:
+            mosFile.write("loadModel(Modelica);\n")
+            mosFile.write("loadFile(\"Simulator/package.mo\");\n")
+            mosFile.write("loadFile(\"BinaryEnvelopes.mo\");\n")
+            mosFile.write("loadFile(\"Graph.mo\");\n")
+            mosFile.write("simulate(Graph, outputFormat=\"csv\", stopTime=1.0, numberOfIntervals=1);\n")
+
+        self.resdata = []
+        self.omc_path = self.get_omc_path()
+        simpath = self.plot_mos_path
+        os.chdir(self.sim_dir_path)
+
+        process = Popen([self.omc_path, '-s',simpath], stdout=PIPE, stderr=PIPE)
+        self.stdout, self.stderr = process.communicate()
+
+        os.chdir(self.curr_path)
+
+        csvpath = os.path.join(self.sim_dir_path,'Graph_res.csv')
+
+        self.datay = []
+        self.datax1 = []
+        self.datax2 = []
+        self.rows = []
+
+        with open (csvpath,'r') as resultFile:
+            self.resdata = []
+            csvreader = csv.reader(resultFile,delimiter=',')
+            for row in csvreader:
+                self.resdata.append(row)
+                self.rows.append(row)
+
+        if self.type=='T':
+            for k in range(len(self.rows[0])):
+                if self.rows[0][k][0]=='P':
+                    self.datay.append(float(self.rows[1][k]))
+                length = len(self.rows[0][k])
+                if self.rows[0][k][0]=='x' and self.rows[0][k][length-2]=='1':
+                    self.datax1.append(float(self.rows[1][k]))
+                if self.rows[0][k][0]=='y' and self.rows[0][k][length-2]=='1':
+                    self.datax2.append(float(self.rows[1][k]))
+        else: 
+            for k in range(len(self.rows[0])):
+                if self.rows[0][k][0]=='T':
+                    self.datay.append(float(self.rows[1][k]))
+                length = len(self.rows[0][k])   
+                if self.rows[0][k][0]=='x' and self.rows[0][k][length-2]=='1':
+                    self.datax1.append(float(self.rows[1][k]))
+
+                if self.rows[0][k][0]=='y' and self.rows[0][k][length-2]=='1':
+                    self.datax2.append(float(self.rows[1][k]))
+
+        plt = pg.PlotWidget()
+        plt.showGrid(x=True,y=True)
+        plt.addLegend()   
+        plt.setXRange(0,1) 
+
+        c1 = plt.plot(self.datax1, self.datay,pen=pg.mkPen('b',width = 1), name='dew points')
+        c2 = plt.plot(self.datax2, self.datay,pen=pg.mkPen('r',width = 1), name='bubble points') 
+        view_box = plt.plotItem.vb
+        self.tool_tip = ""
+
+        def press_event(evt):
+            a = 10
+            pos = evt
+            mousepoint = view_box.mapSceneToView(pos)
+            roi = pg.ROI(pos)
+            find_color = plt.mapToGlobal(pos.toPoint())
+
+            screen = QGuiApplication.primaryScreen()
+            image = screen.grabWindow(QApplication.desktop().winId()).toImage()
+            colour = QtGui.QColor(image.pixel(find_color.x(),find_color.y()))
+
+            if colour.red()==255 or colour.blue()==255:
+                self.lineEdit_x.setText(str(round(mousepoint.x(),3)))
+                self.lineEdit_y.setText(str(round(mousepoint.y(),3)))
+                self.tool_tip = str(round(mousepoint.x(),3)) + ", " + str(round(mousepoint.y(),3))
+                QApplication.setOverrideCursor(QCursor(QtCore.Qt.CrossCursor))
+            else:
+                self.lineEdit_x.setText("")
+                self.lineEdit_y.setText("")
+                self.tool_tip = ""
+                QApplication.setOverrideCursor(QCursor(QtCore.Qt.ArrowCursor))
+                     
+        def entered(items):
+            for i in items:
+                if i.__class__.__name__ =="LegendItem":
+                    self.lineEdit_x.setText("")
+                    self.lineEdit_y.setText("")
+                    QApplication.setOverrideCursor(QCursor(QtCore.Qt.ArrowCursor))
+                else:
+                    i.setToolTip(self.tool_tip)    
+                 
+        plt.scene().sigMouseMoved.connect(press_event)
+        plt.scene().sigMouseHover.connect(entered)
+
+        plt.setLabel('left',self.other+self.otherunit,units = '')   
+        plt.setLabel('bottom',self.comp1+'(mol. frac.)',units = '')
+
+        self.new_tab = plt
+        self.new_tab.setObjectName("Plot "+str(self.counter))
+        
+        self.tabWidget.addTab(self.new_tab,"Plot "+str(self.counter))
+        self.counter+=1
diff --git a/src/main/python/utils/ComponentSelector.py b/src/main/python/utils/ComponentSelector.py
new file mode 100644
index 0000000..44a2696
--- /dev/null
+++ b/src/main/python/utils/ComponentSelector.py
@@ -0,0 +1,177 @@
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+from PyQt5.uic import loadUiType
+import os, sys
+import pandas as pd
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parent)
+
+from Simulator.Databases.Databases import ChemsepDatabase
+ui_dialog,_ = loadUiType(parentPath+'/ui/utils/ComponentSelector.ui')
+
+
+#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):       
+        QDialog.__init__(self,parent)
+
+        self.setupUi(self)
+    
+        self.dict1=dict()#empty dictionary which will store the obj and its compound
+        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.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.compound_selection)
+        self.compoundSelectButton.setAutoDefault(False)
+        self.pushButton.clicked.connect(self.accept)
+        self.pushButton_2.clicked.connect(self.cancel)
+        self.pushButton_3.clicked.connect(self.remove_items)
+        
+    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 is_compound_selected(self):
+        if not compound_selected:
+            return False
+        else:
+            return True        
+  
+  #attrib:
+    #CAS fro CAS Number
+    #CompoundID for Name
+    #Smiles for Molecular Formula
+    #MolecularWeight for Molecular Weight
+
+#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 compound_selection(self, *args):
+        if len(args) == 2:
+            self.comp = args[1]     #helpful when loading saved data
+        else:
+            self.comp = self.lineEdit.text()      #gets entered text
+        if self.comp in self.lines: #matches with the db
+            if self.comp not in compound_selected:
+                compound_selected.append(self.comp)  # appending compound in the list
+            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
+
+            
+            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.CAS=self.obj.get_value(self.comp,'CAS')
+            self.name=self.comp
+            self.molecular_formula=self.obj.get_value(self.comp, 'StructureFormula')
+            self.molecular_weight=self.obj.get_value(self.comp, 'MolecularWeight')
+            
+            dict={'CAS':self.CAS,'Name':self.name,'Molecular Formula':self.molecular_formula,'Molecular Weight':self.molecular_weight}
+            #converted everything to a dictionary which will be passes to addtable 
+            #function as a parameter.
+            #print(dict)
+            self.add_to_table(dict)
+        else:
+            self.show_error()
+
+    @staticmethod
+    def set_compounds(compounds):
+        # compound_selected = compounds
+        for i in compounds:
+            compound_selected.append(i)
+
+    def add_to_table(self,a):
+        try:
+            row_position = self.tableWidget.rowCount()
+            self.tableWidget.insertRow(row_position)
+            self.tableWidget.setItem(row_position , 0, QTableWidgetItem(str(a['CAS'])))
+            self.tableWidget.setItem(row_position , 1, QTableWidgetItem(str(a['Name'])))
+            self.tableWidget.setItem(row_position , 2, QTableWidgetItem(str(a['Molecular Formula'])))
+            self.tableWidget.setItem(row_position , 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]
+            #print(exc_type, fname, exc_tb.tb_lineno)
+
+    def add_compounds_to_list(self,comp):       # which list?
+        self.item = QListWidgetItem()
+        self.item.setText(comp)
+        self.listWidget.addItem(self.item)
+
+    def remove_items(self):
+        try:
+            item = self.tableWidget.item(self.tableWidget.currentRow(),1).text() + '(chemsep)'
+            self.tableWidget.removeRow(self.tableWidget.currentRow())
+            compound_selected.remove(item)
+        except Exception as e:
+            print(e)
+
+    def show_error(self):
+        QMessageBox.about(self, 'Important', "Selected Compound is not Available")
+    
+    def cancel(self):
+        compound_selected.clear()
+        self.tableWidget.setRowCount(0)
+        self.reject()
+    
+    def get_compounds(self):
+        return compound_selected
+     
+    def final_mo(self):
+        self.f_mo=open(parentPath+'/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()
+        
+    def accept(self):
+        #self.parent().container.update_compounds()
+        return super().accept()
+        
\ No newline at end of file
diff --git a/src/main/python/utils/Container.py b/src/main/python/utils/Container.py
new file mode 100644
index 0000000..139346c
--- /dev/null
+++ b/src/main/python/utils/Container.py
@@ -0,0 +1,264 @@
+from collections import defaultdict
+import datetime
+import pickle 
+import os,sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from python.OMChem.Flowsheet import Flowsheet
+from python.utils.ComponentSelector import *
+from python.utils.Graphics import NodeItem, Graphics, dock_widget_lst
+from python.DockWidgets.DockWidget import DockWidget
+
+class Container():
+    def __init__(self,msgbrowser, graphicsView):
+        self.unit_operations = []
+        self.thermo_package = None
+        self.compounds = None
+        self.flowsheet = None
+        self.conn = defaultdict(list)
+        self.op=defaultdict(list)
+        self.ip=defaultdict(list)
+        self.msg = msgbrowser
+        self.graphicsView = graphicsView
+        self.msg.setText("")
+        self.opl=[]
+        self.result=[]
+        self.graphics = Graphics(self.unit_operations, self.graphicsView)
+        self.scene = self.graphics.get_scene()
+
+    def current_time(self):
+        now = datetime.datetime.now()
+        time = str(now.hour) + ":" + str(now.minute) + ":" +str(now.second)
+        return time
+    
+    def add_unit_operation(self, obj):
+        box = None
+        self.obj = obj
+        self.scene = self.graphics.get_scene()
+        box  = self.graphics.create_node_item(self.obj, self)
+        if box is not None:
+            self.scene.addItem(box)
+            box.setPos(2500-30, 2500-30)
+
+            if(obj in self.unit_operations):
+                pass
+            else:
+                self.unit_operations.append(obj)
+                data = self.unit_operations[:]
+                data.append(compound_selected)
+                #push('Undo', data)
+                self.msg.append("<span style=\"color:blue\">["+str(self.current_time())+"]<b> "+obj.name+" </b>is instantiated .""</span>")
+
+    '''
+        Deletes the selected item from the canvas and also the objects created for that type.
+    '''
+    def delete(self,l):
+        for item in l:
+            self.scene.removeItem(item)
+            for i in dock_widget_lst:
+                if i.name == item.name:
+                    i.hide()
+                    del i
+                    break
+
+            if hasattr(item,'input'):
+                for x in item.input:
+                    if x.new_line:
+                        self.scene.removeItem(x.new_line)
+                        del x.new_line
+                    if x.other_line:
+                        self.scene.removeItem(x.other_line)
+                        del x.other_line
+            if hasattr(item,'output'):
+                for x in item.output:
+                    if x.new_line:
+                        self.scene.removeItem(x.new_line)
+                        del x.new_line
+                    if x.other_line:
+                        self.scene.removeItem(x.other_line)
+                        del x.other_line
+            if hasattr(item,'obj'):
+                self.unit_operations.remove(item.obj)
+                for k in list(self.conn):
+                    if item.obj==k:
+                        del self.conn[k]
+                    elif item.obj in self.conn[k]:
+                        self.conn[k].remove(item.obj)
+                self.msg.append("<span style=\"color:blue\">["+str(self.current_time())+"]<b> "+item.obj.name+" </b>is deleted .""</span>")
+                del item.obj
+            del item
+
+            # clean_file('Redo')
+            # data = self.unit_operations[:]
+            # data.append(compound_selected)
+            # push('Undo', data)
+
+    def fetch_object(self,name):
+        for i in self.unit_operations:
+            if(i.name==name):
+                return i
+                
+    def add_compounds(self,comp):
+        self.compounds = comp
+
+    def update_compounds(self):
+        self.graphics.update_compounds()
+
+    def add_thermo_package(self,thermo):
+        self.thermo_package = thermo
+
+    def msg_browser(self):
+        std = self.flowsheet.stdout.decode("utf-8")
+        if(std):
+            stdout = str(std)
+            stdout = stdout.replace("\n","<br/>")
+            self.msg.append("<span style=\"color:green\">"+stdout+"</span>")
+        
+        stde = self.flowsheet.stderr.decode("utf-8")
+        if(stde):
+            stdout = str(stde)
+            stdout = stdout.replace("\n","<br/>")
+            self.msg.append("<span style=\"color:red\">"+stdout+"</span>")
+    
+    def simulate(self,mode):
+
+        self.disableInterfaceforSimulation(True)
+        toAppend = ''
+        for i in self.graphics.scene.items():
+            showConnectionWarning = False
+            if isinstance(i, NodeItem):
+                try:
+                    i.dock_widget.clear_results()
+                except AttributeError:
+                    pass
+
+                for ip in i.input:
+                    if len(ip.in_lines) == 0:
+                        showConnectionWarning = True
+                for op in i.output:
+                    if len(op.out_lines) == 0:
+                        showConnectionWarning = True
+                if showConnectionWarning:
+                    if toAppend != '':
+                        toAppend+='<br>'
+                    toAppend+="<span style=\"color:#999900\">Warning: "+i.name+" - Missing Socket Connection(s).</span>"
+
+        #print("SIMULATE")
+        #print(mode)
+        self.compounds = compound_selected
+        self.flowsheet = Flowsheet()
+        self.flowsheet.add_compound_list([c[:c.index('(')] for c in self.compounds])
+        #print("######## connection master#########\n",self.conn)
+        for i in self.unit_operations :
+            self.flowsheet.add_unit_operations(i)
+            
+            
+        if mode=='SM':
+            self.msg.append("<span>["+str(self.current_time())+"] Simulating in <b>Sequential</b> mode ... </span>")
+            self.msg.append(toAppend)
+            self.flowsheet.simulate_SM(self.ip,self.op)
+            self.msg_browser()
+            self.result=self.flowsheet.result_data
+            
+        elif mode=='EQN':
+            self.msg.append("<span>["+str(self.current_time())+"] Simulating in <b>equation</b> mode ... </span>")
+            self.msg.append(toAppend)
+            self.flowsheet.simulate_EQN(self.msg)
+            self.result=self.flowsheet.result_data
+
+            if(len(self.result)== 4):
+                #self.msg_browser()
+                self.msg.append("<span style=\"color:green\">["+str(self.current_time())+"] Simulation <b>Successful.</b></span>")
+            else:
+                self.msg.append("<span style=\"color:red\">["+str(self.current_time())+"] Simulation <b>Failed.</b></span>")
+            #print("under Eqn mode simulation")
+        
+        if(len(self.result)== 4):
+            DockWidget.show_result(NodeItem.get_dock_widget())
+
+        for i in self.graphics.scene.items():
+            if (isinstance(i, NodeItem) and i.type == 'MaterialStream'):
+                i.update_tooltip_selectedVar()
+                no_input_lines = len(i.input[0].in_lines)
+                no_output_lines = len(i.output[0].out_lines)
+                if(no_input_lines>0): #Checks if material stream is input or output stream if it is output stream it continues
+                    i.obj.disableInputDataTab(i.dock_widget)
+                    
+        self.disableInterfaceforSimulation(False)
+
+    def enableToolbar(self,status):
+        self.graphicsView.parent().parent().actionNew.setProperty('enabled',status)
+        self.graphicsView.parent().parent().actionZoomIn.setProperty('enabled',status)
+        self.graphicsView.parent().parent().actionZoomOut.setProperty('enabled',status)
+        self.graphicsView.parent().parent().actionResetZoom.setProperty('enabled',status)
+        self.graphicsView.parent().parent().actionEquationOriented.setProperty('enabled',status)
+        self.graphicsView.parent().parent().actionTerminate.setProperty('enabled',not status)
+        self.graphicsView.parent().parent().actionSelectCompounds.setProperty('enabled',status)
+
+    def disableInterfaceforSimulation(self,status):
+        self.graphicsView.parent().parent().menubar.setProperty('enabled',not status)
+        self.enableToolbar(not status)
+        self.graphicsView.parent().parent().dockWidget.setProperty('enabled',not status)
+        self.graphicsView.setInteractive(not status)
+        if status:
+            QApplication.instance().setOverrideCursor(QCursor(Qt.WaitCursor))
+        else:
+            QApplication.instance().restoreOverrideCursor()
+            QApplication.instance().setOverrideCursor(QCursor(Qt.ArrowCursor))
+
+def flat_list(lst):
+    flat_lst=[]
+    for sublist in lst:
+        for item in sublist:
+            flat_lst.append(item)
+    return flat_lst
+
+def push(file_name, data):
+    with open(f"{file_name}.dat", "ab") as obj:
+        pickle.dump(data, obj)
+
+def clean_file(file_name):
+    with open(f"{file_name}.dat", "wb") as clean:
+        pass
+
+def pop(file_name):
+    last_command = None
+    if os.stat(f"{file_name}.dat").st_size != 0:
+        commands = []
+        with open(f"{file_name}.dat", "rb") as objs:
+            while True:
+                try:
+                    command = pickle.load(objs)
+                    commands.append(command)
+                except EOFError:
+                    break
+
+        last_command = commands[-1]
+        commands.remove(commands[-1])
+        if len(commands) != 0:
+            with open(f"{file_name}.dat", "wb") as updated_data:
+                for i in range(len(commands)):
+                    pickle.dump(commands[i], updated_data)
+        else:
+            clean_file(file_name)
+
+    return last_command
+
+def get_last_list(file_name):
+    commands = []
+    if os.stat(f"{file_name}.dat").st_size != 0:
+        with open(f"{file_name}.dat", "rb") as objs:
+            while True:
+                try:
+                    command = pickle.load(objs)
+                    commands.append(command)
+                except EOFError:
+                    break
+    if len(commands) is not 0:
+        return commands[-1]
+    else:
+        return None
diff --git a/src/main/python/utils/Graphics.py b/src/main/python/utils/Graphics.py
new file mode 100644
index 0000000..eb9b3b9
--- /dev/null
+++ b/src/main/python/utils/Graphics.py
@@ -0,0 +1,694 @@
+from PyQt5.QtCore import *
+from PyQt5.QtWidgets import *
+from PyQt5.QtGui import *
+import PyQt5.QtGui as QtGui
+import PyQt5.QtCore as QtCore
+import PyQt5.QtWidgets as QtWidgets
+from PyQt5.QtWidgets import QLineEdit
+import os, sys
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from python.DockWidgets.DockWidget import *
+from python.DockWidgets.DockWidgetMaterialStream import *
+from python.DockWidgets.DockWidgetDistillationColumn import *
+from python.DockWidgets.DockWidgetShortcutColumn import *
+from python.DockWidgets.DockWidgetMixer import *
+from python.DockWidgets.DockWidgetSplitter import *
+from python.DockWidgets.DockWidgetFlash import *
+from python.DockWidgets.DockWidgetCompoundSeparator import *
+from python.DockWidgets.DockWidgetCompressorExpander import *
+from python.utils.Container import *
+from python.utils.Streams import *
+from python.utils.UnitOperations import *
+from python.utils.ComponentSelector import *
+
+class Graphics(QDialog, QtWidgets.QGraphicsItem):
+
+    def __init__(self, unit_operations, graphicsView):
+        QDialog.__init__(self)
+        QtWidgets.QGraphicsItem.__init__(self)
+        self.scene = QGraphicsScene()
+        self.scene.setItemIndexMethod(QGraphicsScene.BspTreeIndex)
+        self.graphicsView = graphicsView
+        self.pos = None
+        self.unit_operations = unit_operations
+        self.graphicsView.horizontalScrollBarVal = self.graphicsView.horizontalScrollBar().value()
+
+    def get_scene(self):
+        return self.scene
+
+    def create_node_item(self,unit_operation, container):
+        tempItem = NodeItem(unit_operation, container, self.graphicsView)
+        if tempItem.ok:
+            return tempItem
+        else:
+            return None
+
+    def update_compounds(self):
+        for i in self.graphicsView.items():
+            if isinstance(i, NodeItem):
+                i.update_compounds()
+    
+    def load_canvas(self, obj, container):
+        stm = ['MaterialStream','EngStm']
+        for i in obj:
+            if i in self.unit_operations:
+                pass
+            else:
+                self.unit_operations.append(i)
+                type(i).counter += 1
+            #print(self.unit_operations)
+            new_box = self.create_node_item(i, container)
+            new_box.setPos(i.pos.toPoint().x(), i.pos.toPoint().y())
+            self.scene.addItem(new_box)
+
+        for i in obj:
+            if i.type == "MaterialStream":
+                pass
+                #print(eval(i.type))
+            elif i.type not in stm:
+                ip = i.input_stms
+                op = i.output_stms
+                for k, v in ip.items():
+                    pointA = NodeItem.get_instances(v.name)
+                    pointB = NodeItem.get_instances(i.name)
+                    rect = pointA.output[0].boundingRect()
+                    pointAA = QtCore.QPointF(rect.x() + rect.width()/(2), rect.y() + rect.height()/(2))
+                    pointAA = pointA.output[0].mapToScene(pointAA)
+                    socketB = next((s for s in pointB.input if k == s.id))
+                    rectB = socketB.boundingRect()
+                    pointBB = QtCore.QPointF(rectB.x() + rectB.width()/(2), rectB.y() + rectB.height()/(2))
+                    pointBB = socketB.mapToScene(pointBB)
+                    self.new_line = NodeLine(pointAA, pointBB, 'in')
+                    self.new_line.source = pointA.output[0]
+                    self.new_line.target = socketB
+                    pointA.output[0].out_lines.append(self.new_line)
+                    socketB.in_lines.append(self.new_line)
+                    pointA.output[0].other_line = self.new_line
+                    socketB.other_line = self.new_line
+                    self.scene.addItem(self.new_line)
+                    self.new_line.updatePath()      
+                for k, v in op.items():
+                    pointA = NodeItem.get_instances(i.name)
+                    pointB = NodeItem.get_instances(v.name)
+                    socketA = next(s for s in pointA.output if k == s.id)
+                    rect = socketA.boundingRect()
+                    pointAA = QtCore.QPointF(rect.x() + rect.width()/(2), rect.y() + rect.height()/(2))
+                    pointAA = socketA.mapToScene(pointAA)
+                    rectB = pointB.input[0].boundingRect()
+                    pointBB = QtCore.QPointF(rectB.x() + rectB.width()/(2), rectB.y() + rectB.height()/(2))
+                    pointBB = pointB.input[0].mapToScene(pointBB)
+                    self.new_line = NodeLine(pointAA, pointBB, 'out')
+                    self.new_line.source = socketA
+                    self.new_line.target = pointB.input[0]
+                    socketA.out_lines.append(self.new_line)
+                    pointB.input[0].in_lines.append(self.new_line)
+                    socketA.other_line = self.new_line
+                    pointB.input[0].other_line = self.new_line
+                    self.scene.addItem(self.new_line)
+                    self.new_line.updatePath()
+           
+                            
+class NodeLine(QtWidgets.QGraphicsPathItem):
+    def __init__(self, pointA, pointB , socket):
+        super(NodeLine, self).__init__()
+        self._pointA = pointA
+        self._pointB = pointB
+        self.socket = socket
+        self._source = None
+        self._target = None
+        self.setZValue(-1)
+        self.setBrush(QtGui.QColor(0,70,70,120))
+        self.pen = QtGui.QPen()
+        self.pen.setStyle(QtCore.Qt.SolidLine)
+        self.pen.setWidth(2)
+        self.pen.setColor(QtGui.QColor(0,70,70,220))
+        self.setPen(self.pen)
+
+    def updatePath(self):
+
+        if (self._pointB.x() - self._pointA.x()) < 30:
+            path = QtGui.QPainterPath()
+            midptx = (self.pointA.x() + 13)
+    
+            ctrl1_1 = QtCore.QPointF(self.pointA.x(), self.pointA.y())
+            ctrl2_1 = QtCore.QPointF(self.pointA.x(), self.pointA.y())
+            pt1 = QtCore.QPointF(midptx , self.pointA.y())
+            path.moveTo(pt1)
+            path.cubicTo(ctrl1_1, ctrl2_1, pt1) 
+
+            if abs(self.pointB.x()-midptx) > 150:                
+                ctrl1_2 = QtCore.QPointF(midptx, self.pointA.y())
+                ctrl2_2 = QtCore.QPointF(midptx, self.pointA.y())
+                pt2 = QtCore.QPointF(midptx , self.pointA.y()+100)
+                path.cubicTo(ctrl1_2, ctrl2_2, pt2)
+                path.moveTo(pt2)
+
+                ctrl1_3 = QtCore.QPointF(midptx, self.pointA.y()+100)
+                ctrl2_3 = QtCore.QPointF(midptx, self.pointA.y()+100)
+                pt3 = QtCore.QPointF(self.pointB.x()-13, self.pointA.y()+100)
+                path.cubicTo(ctrl1_3, ctrl2_3, pt3)
+                path.moveTo(pt3)
+
+                ctrl1_4 = QtCore.QPointF(self.pointB.x()-13, self.pointA.y()+100)
+                ctrl2_4 = QtCore.QPointF(self.pointB.x()-13, self.pointA.y()+100)
+                pt4 = QtCore.QPointF(self.pointB.x()-13, self.pointB.y())
+                path.cubicTo(ctrl1_4, ctrl2_4, pt4)
+                path.moveTo(pt4)
+
+                ctrl1_5 = QtCore.QPointF(self.pointB.x()-13, self.pointB.y())
+                ctrl2_5 = QtCore.QPointF(self.pointB.x()-13, self.pointB.y())
+                pt5 = QtCore.QPointF(self.pointB.x(), self.pointB.y())
+                path.cubicTo(ctrl1_5, ctrl2_5, pt5)
+                path.moveTo(pt5)
+
+                self.setPath(path)
+                return
+            else:
+                ctrl1_2 = QtCore.QPointF(midptx, self.pointA.y())
+                ctrl2_2 = QtCore.QPointF(midptx, self.pointA.y())
+                pt2 = QtCore.QPointF(midptx , max(self.pointB.y(), self.pointA.y())-(abs(self.pointA.y()-self.pointB.y())/2))
+                path.cubicTo(ctrl1_2, ctrl2_2, pt2)
+                path.moveTo(pt2)
+
+                ctrl1_3 = QtCore.QPointF(midptx, max(self.pointB.y(), self.pointA.y())-(abs(self.pointA.y()-self.pointB.y())/2))
+                ctrl2_3 = QtCore.QPointF(midptx, max(self.pointB.y(), self.pointA.y())-(abs(self.pointA.y()-self.pointB.y())/2))
+                pt3 = QtCore.QPointF(self.pointB.x()-13,  max(self.pointB.y(), self.pointA.y())-(abs(self.pointA.y()-self.pointB.y())/2))
+                path.cubicTo(ctrl1_3, ctrl2_3, pt3)
+                path.moveTo(pt3)
+
+                ctrl1_4 = QtCore.QPointF(self.pointB.x()-13, max(self.pointB.y(), self.pointA.y())-(abs(self.pointA.y()-self.pointB.y())/2))
+                ctrl2_4 = QtCore.QPointF(self.pointB.x()-13, max(self.pointB.y(), self.pointA.y())-(abs(self.pointA.y()-self.pointB.y())/2))
+                pt4 = QtCore.QPointF(self.pointB.x()-13, self.pointB.y())
+                path.cubicTo(ctrl1_4, ctrl2_4, pt4)
+                path.moveTo(pt4)
+
+                ctrl1_5 = QtCore.QPointF(self.pointB.x()-13, self.pointB.y())
+                ctrl2_5 = QtCore.QPointF(self.pointB.x()-13, self.pointB.y())
+                pt5 = QtCore.QPointF(self.pointB.x(), self.pointB.y())
+                path.cubicTo(ctrl1_5, ctrl2_5, pt5)
+                path.moveTo(pt5)
+
+                self.setPath(path)
+                return
+        
+        path = QtGui.QPainterPath()
+        path.moveTo(self.pointA)
+        midptx = 0.5*(self.pointA.x() + self.pointB.x())
+ 
+        ctrl1_1 = QtCore.QPointF(self.pointA.x(), self.pointA.y())
+        ctrl2_1 = QtCore.QPointF(self.pointA.x(), self.pointA.y())
+        pt1 = QtCore.QPointF(midptx , self.pointA.y())
+        path.cubicTo(ctrl1_1, ctrl2_1, pt1) 
+        path.moveTo(pt1)
+
+        ctrl1_2 = QtCore.QPointF(midptx, self.pointA.y())
+        ctrl2_2 = QtCore.QPointF(midptx, self.pointA.y())
+        pt2 = QtCore.QPointF(midptx , self.pointB.y())
+        path.cubicTo(ctrl1_2, ctrl2_2, pt2)
+        path.moveTo(pt2)
+
+        ctrl1_3 = QtCore.QPointF(midptx, self.pointB.y())
+        ctrl2_3 = QtCore.QPointF(midptx, self.pointB.y())
+        path.cubicTo(ctrl1_3, ctrl2_3, self.pointB)
+        path.moveTo(self.pointB)
+        self.setPath(path)
+
+    def paint(self, painter, option, widget):
+        painter.setPen(self.pen)
+        painter.drawPath(self.path())
+
+    @property
+    def pointA(self):
+        return self._pointA
+ 
+    @pointA.setter
+    def pointA(self, point):
+        self._pointA = point
+        self.updatePath()
+ 
+    @property
+    def pointB(self):
+        return self._pointB
+ 
+    @pointB.setter
+    def pointB(self, point):
+        self._pointB = point
+        self.updatePath()
+ 
+    @property
+    def source(self):
+        return self._source
+ 
+    @source.setter
+    def source(self, widget):
+        self._source = widget
+ 
+    @property
+    def target(self):
+        return self._target
+ 
+    @target.setter
+    def target(self, widget):
+        self._target = widget
+
+    def __delete__(self,instance):
+        del self._source
+        del self._target
+        del self._pointA
+        del self._pointB
+
+class NodeSocket(QtWidgets.QGraphicsItem):
+    def __init__(self, rect, parent, socketType, id):
+        super(NodeSocket, self).__init__(parent)
+        self.rect = rect
+        self.type = socketType
+        self.parent=parent
+        self.id = id
+        self.setAcceptHoverEvents(True)
+        self.new_line=None
+        self.other_line=None
+    
+        # Brush
+        self.brush = QtGui.QBrush(Qt.transparent)
+        # Pen
+        self.pen = QtGui.QPen(Qt.NoPen)
+
+        # Lines
+        self.out_lines = []
+        self.in_lines = []
+        
+    def shape(self):
+        path = QtGui.QPainterPath()
+        path.addEllipse(self.boundingRect())
+        return path
+ 
+    def boundingRect(self):
+        return QtCore.QRectF(self.rect)
+ 
+    def paint(self, painter, option, widget):
+        
+        painter.setPen(self.pen)
+        painter.drawEllipse(self.rect.x(),self.rect.y(),self.rect.height(),self.rect.width())
+        painter.setBrush(self.brush)
+        painter.drawEllipse(self.rect.x()+2,self.rect.y()+2,(self.rect.height()/3)*2,(self.rect.width()/3)*2)
+        
+    def mousePressEvent(self, event):
+        cursor = QCursor( Qt.ArrowCursor )
+        QApplication.instance().setOverrideCursor(cursor)
+
+        if self.type == 'op'and len(self.out_lines) == 0:
+            rect = self.boundingRect()
+            pointA = QtCore.QPointF(rect.x() + rect.width()/(2), rect.y() + rect.height()/(2))
+            pointA = self.mapToScene(pointA)
+            pointB = self.mapToScene(event.pos())
+            self.new_line = NodeLine(pointA, pointB ,'op')
+            self.out_lines.append(self.new_line)
+            self.scene().addItem(self.new_line)    
+        elif self.type == 'in' and len(self.in_lines) == 0:
+            rect = self.boundingRect()
+            pointA = self.mapToScene(event.pos())
+            pointB = QtCore.QPointF(rect.x() + rect.width()/(2), rect.y() + rect.height()/(2))
+            pointB = self.mapToScene(pointB)
+            self.new_line = NodeLine(pointA, pointB, 'in')
+            self.in_lines.append(self.new_line)
+            self.scene().addItem(self.new_line)
+        else:
+            super(NodeSocket, self).mousePressEvent(event)
+
+    def mouseMoveEvent(self, event):
+
+        if self.type == 'op':
+            item = self.scene().itemAt(event.scenePos().toPoint(),QtGui.QTransform())
+            if(isinstance(item,NodeSocket)):
+                QApplication.instance().setOverrideCursor(QCursor( Qt.PointingHandCursor))
+            else:
+                QApplication.instance().restoreOverrideCursor()
+                QApplication.instance().setOverrideCursor(QCursor( Qt.ArrowCursor))
+            pointB = self.mapToScene(event.pos())
+            self.new_line.pointB = pointB
+            if self.other_line:
+                self.other_line.pointB=pointB       
+        elif self.type == 'in':
+            pointA = self.mapToScene(event.pos())
+            self.new_line.pointA = pointA
+            if self.other_line:
+                self.other_line.pointA=pointA
+        else:
+            super(NodeSocket, self).mouseMoveEvent(event)
+
+    def mouseReleaseEvent(self, event):
+        cursor = QCursor( Qt.ArrowCursor )
+        QApplication.instance().setOverrideCursor(cursor)
+
+        item = self.scene().itemAt(event.scenePos().toPoint(),QtGui.QTransform())
+        stm = ['MaterialStream','EngStm']
+        item.other_line=self.new_line
+        if self.type == 'op' and item.type == 'in' and len(item.in_lines) == 0:
+            self.new_line.source = self
+            self.new_line.target = item
+            item.in_lines.append(self.new_line)
+            self.new_line.pointB = item.get_center()
+            #print(type(self.new_line.source))
+            if self.new_line.source.parent.obj.type not in stm:
+                self.new_line.source.parent.obj.add_connection(0, self.new_line.source.id, self.new_line.target.parent.obj)
+            if self.new_line.target.parent.obj.type not in stm:
+                self.new_line.target.parent.obj.add_connection(1, self.new_line.target.id, self.new_line.source.parent.obj) # Input stream if flag is 1
+            
+            sc = self.new_line.source.parent
+            tg = self.new_line.target.parent
+            if(sc.obj.type == 'MaterialStream'):
+                sc_no_input_lines = len(sc.input[0].in_lines)
+                if(sc_no_input_lines > 0):
+                    sc.obj.disableInputDataTab(sc.dock_widget)
+            if(tg.obj.type == 'MaterialStream'):
+                tg_no_input_lines = len(tg.input[0].in_lines)
+                if(tg_no_input_lines > 0):
+                    tg.obj.disableInputDataTab(tg.dock_widget)
+
+        elif self.type =='in' and item.type == 'op' and len(item.out_lines) == 0:
+            self.new_line.source = item
+            self.new_line.target = self
+            item.out_lines.append(self.new_line)
+            self.new_line.pointA = item.get_center()
+            #print(type(self.new_line.source))
+            if self.new_line.source.parent.obj.type not in stm:
+                self.new_line.source.parent.obj.add_connection(0, self.new_line.source.id, self.new_line.target.parent.obj)
+            if self.new_line.target.parent.obj.type not in stm:
+                self.new_line.target.parent.obj.add_connection(1, self.new_line.target.id, self.new_line.source.parent.obj)
+            
+            sc = self.new_line.source.parent
+            tg = self.new_line.target.parent
+            if(sc.obj.type == 'MaterialStream'):
+                sc_no_input_lines = len(sc.input[0].in_lines)
+                if(sc_no_input_lines > 0):
+                    sc.obj.disableInputDataTab(sc.dock_widget)
+            if(tg.obj.type == 'MaterialStream'):
+                tg_no_input_lines = len(tg.input[0].in_lines)
+                if(tg_no_input_lines > 0):
+                    tg.obj.disableInputDataTab(tg.dock_widget)
+
+        else:
+            self.scene().removeItem(self.new_line)
+            if(self.new_line in self.in_lines):
+                self.in_lines.remove(self.new_line)
+            if(self.new_line in self.out_lines):
+                self.out_lines.remove(self.new_line)
+            del self.new_line
+            super(NodeSocket, self).mouseReleaseEvent(event)
+
+        try:
+            data = get_last_list('Undo')
+            comp_selected = data[-1]
+            data.remove(comp_selected)
+            for i in range(len(data)):
+                if data[i].name == self.new_line.source.parent.obj.name:
+                    data[i] = self.new_line.source.parent.obj
+                elif data[i].name == self.new_line.target.parent.obj.name:
+                    data[i] = self.new_line.target.parent.obj
+            data.append(comp_selected)
+            push('Undo', data)
+        except Exception as e:
+            print(e)
+            
+    def get_center(self):
+        rect = self.boundingRect()
+        center = QtCore.QPointF(rect.x() + rect.width()/(2), rect.y() + rect.height()/(2))
+        center = self.mapToScene(center)
+        return center
+
+    def hoverEnterEvent(self, event):
+        cursor = QCursor( Qt.PointingHandCursor)
+        QApplication.instance().setOverrideCursor(cursor)     
+    
+    def hoverLeaveEvent(self, event):
+        cursor = QCursor( Qt.ArrowCursor )
+        QApplication.instance().setOverrideCursor(cursor)
+
+    def show(self):
+        # set pen to show
+        self.pen = QPen(QtGui.QColor(0,70,70,220), 1, Qt.SolidLine)
+        self.brush = QBrush(QtGui.QColor(140,199,198,255))
+
+    def hide(self):
+        # set pen to transparent
+        self.pen = QPen(Qt.NoPen)
+        self.brush = QBrush(Qt.transparent)
+
+# all created node items will be put inside this list 
+# it is used for recreating the node lines by returning the node item object based on unit operation object's name 
+lst = []
+dock_widget_lst = []
+stack = []
+
+class NodeItem(QtWidgets.QGraphicsItem):
+
+    @staticmethod
+    def get_instances(namee):
+        for i in lst:
+            if i.name == namee:
+                return i
+
+    @staticmethod
+    def get_dock_widget():
+        return dock_widget_lst
+
+    def __init__(self,unit_operation, container, graphicsView):
+        l = ['Splitter','Mixer', 'DistillationColumn', 'Flash', 'CompoundSeparator', 'ShortcutColumn'] 
+        stm = ['MaterialStream', 'EnergyStream']
+        super(NodeItem, self).__init__()
+        self.obj = unit_operation
+        self.container = container
+        self.graphicsView = graphicsView
+        self.setAcceptHoverEvents(True)
+        self.name = self.obj.name
+        self.type = self.obj.type
+        self.ok = True
+        if (self.obj.modes_list):
+            default_tooltip = f"{self.name}\n\n"
+            default_tooltip_dict = self.obj.param_getter_tooltip(self.obj.mode)
+            for i, j in default_tooltip_dict.items():
+                if j is not None:
+                    default_tooltip = default_tooltip + f"   {i} : {j}\n"
+            self.setToolTip(default_tooltip)
+
+        if self.obj.type == 'Mixer' and not self.obj.saved:
+            combob_values = map(str,list(range(2,5)))
+            text, self.ok = QInputDialog.getItem(self.container.graphicsView, 'Mixer', 'Select number of inputs:',
+                                            combob_values, False)
+            
+            if self.ok:
+                self.nin = int(text)
+                self.obj.no_of_inputs = self.nin
+                self.obj.variables['NI']['value'] = self.nin
+
+        elif self.obj.type == 'DistillationColumn'and not self.obj.saved:
+            combob_values = map(str,list(range(1,9)))
+            text, self.ok = QInputDialog.getItem(self.container.graphicsView, 'DistillationColumn', 'Select number of input(s):',
+                                            combob_values, False)
+
+            if self.ok:
+                self.nin = int(text)
+                self.obj.no_of_inputs = self.nin
+                self.obj.variables['Ni']['value'] = self.nin
+
+        self.nin = self.obj.no_of_inputs
+        self.nop = self.obj.no_of_outputs
+
+        self.dock_widget = None
+        lst.append(self)
+        if self.obj.type in l:
+            self.dock_widget = eval("DockWidget"+self.obj.type)(self.obj.name,self.obj.type,self.obj,self.container)
+        elif self.obj.type in stm:
+            self.dock_widget = eval("DockWidget"+self.obj.type)(self.obj.name,self.obj.type,self.obj,self.container)
+        elif self.obj.type == "AdiabaticCompressor" or self.obj.type == "AdiabaticExpander":
+            self.dock_widget = eval("DockWidgetCompressorExpander")(self.obj.name,self.obj.type,self.obj,self.container)
+        else:
+            self.dock_widget = DockWidget(self.obj.name,self.obj.type,self.obj,self.container)
+        dock_widget_lst.append(self.dock_widget)
+        self.main_window= findMainWindow(self)
+        self.dock_widget.setFixedWidth(360)
+        self.dock_widget.setFixedHeight(640)
+        self.dock_widget.DockWidgetFeature(QDockWidget.AllDockWidgetFeatures)
+        self.main_window.addDockWidget(Qt.LeftDockWidgetArea, self.dock_widget)
+
+        # updating input values
+        if self.dock_widget.obj.type != 'MaterialStream':
+            pass
+            try:
+                self.dock_widget.obj.param_setter(self.dock_widget.obj.param_getter(self.dock_widget.obj.mode))
+            except Exception as e:
+                print(e)
+        # self.dock_widget.param()
+
+        self.dock_widget.hide()
+        
+        self.pic=QtGui.QPixmap(parentPath+"/resources/base/Icons/"+self.type+".png")
+        self.rect = QtCore.QRect(0,0,self.pic.width(),self.pic.height())
+        self.text = QGraphicsTextItem(self)
+        f = QFont()
+        f.setPointSize(8)
+        self.text.setFont(f)
+        self.text.setDefaultTextColor(QtGui.QColor(0,70,70,220))
+        self.text.setParentItem(self)
+        self.text.setPos(self.rect.width()-(self.rect.width()*0.9), self.rect.height())
+        self.text.setPlainText(self.name) 
+        
+        self.setFlag(QtWidgets.QGraphicsPixmapItem.ItemIsMovable)
+        self.setFlag(QtWidgets.QGraphicsPixmapItem.ItemIsSelectable)
+        self.setFlag(QGraphicsItem.ItemSendsGeometryChanges)
+    
+        # Brush
+        self.brush = QtGui.QBrush()
+        self.brush.setStyle(QtCore.Qt.SolidPattern)
+        self.brush.setColor(QtGui.QColor(80,0,90,255))
+        # Pen
+        self.pen = QtGui.QPen()
+        self.pen.setStyle(QtCore.Qt.SolidLine)
+        self.pen.setWidth(1)
+        self.pen.setColor(QtGui.QColor(20,20,20,255))
+    
+        self.sel_pen = QtGui.QPen()
+        self.sel_pen.setStyle(QtCore.Qt.SolidLine)
+        self.sel_pen.setWidth(1)
+        self.sel_pen.setColor(QtGui.QColor(220,220,220,255))
+ 
+        # initializing the node sockets
+        self.input , self.output = self.initialize_sockets(self.type)
+
+    def shape(self):
+        path = QtGui.QPainterPath()
+        path.addRect(self.boundingRect())
+        return path
+ 
+    def boundingRect(self):
+        return QtCore.QRectF(self.rect)
+ 
+    def paint(self, painter, option, widget):
+        if self.isSelected():
+            painter.setPen(self.sel_pen)
+            painter.drawRect(QtCore.QRectF(self.rect))
+        else:
+            painter.setPen(self.pen)
+        painter.drawPixmap(self.rect,self.pic)
+
+    def initialize_sockets(self,type):
+        if(self.type=="Flash" or self.type=="CompoundSeparator"):
+            input = [NodeSocket(QtCore.QRect(1,(self.rect.height()*x/(self.nin+1)-6),4*3,4*3), self, 'in', x) for x in range(1,self.nin+1) ]
+            output = [NodeSocket(QtCore.QRect(self.rect.width()-13,(self.rect.height()*x*1/(self.nop+1))-4,4*3,4*3), self, 'op', x) for x in range(1,self.nop+1)]
+            return input,output
+        elif(self.type=="AdiabaticCompressor" or self.type=="AdiabaticExpander"  or self.type =="Mixer" or self.type =="Splitter" or self.type =="Valve" ):
+            input = [NodeSocket(QtCore.QRect(-6.5, (self.rect.height()*x/(self.nin+1))-6,4*3,4*3), self, 'in', x) for x in range(1,self.nin+1) ]
+            output = [NodeSocket(QtCore.QRect(self.rect.width()-6.5,(self.rect.height()*x/(self.nop+1))-6,4*3,4*3), self, 'op', x) for x in range(1,self.nop+1)]
+            return input,output
+        elif(self.type=="Cooler" or self.type=="Heater"):
+            input = [NodeSocket(QtCore.QRect(-0.5, (self.rect.height()*x/(self.nin+1))-6,4*3,4*3), self, 'in', x) for x in range(1,self.nin+1) ]
+            output = [NodeSocket(QtCore.QRect(self.rect.width()-12.0,(self.rect.height()*x/(self.nop+1))-6,4*3,4*3), self, 'op', x) for x in range(1,self.nop+1)]
+            return input,output
+        elif(self.type=="CentrifugalPump"):
+            input = [NodeSocket(QtCore.QRect(-6.5,(self.rect.height()*x/(self.nin+1))-11, 4*3,4*3), self, 'in', x) for x in range(1,self.nin+1) ]
+            output = [NodeSocket(QtCore.QRect(self.rect.width()-6.5,-5.5,4*3,4*3), self, 'op', x) for x in range(1,self.nop+1)]
+            return input,output
+        elif(self.type=="DistillationColumn" or self.type=="ShortcutColumn"):
+            input = [NodeSocket(QtCore.QRect(-6.5,(self.rect.height()*x/(self.nin+1)-4),4*3,4*3), self, 'in', x) for x in range(1,self.nin+1) ]
+            output = [NodeSocket(QtCore.QRect(self.rect.width()-9.5,(self.rect.height()*1.44*x/(self.nop+1))-59,4*3,4*3), self, 'op', x) for x in range(1,self.nop+1)]
+            return input,output
+        elif(self.type=="MaterialStream"):
+            input = [NodeSocket(QtCore.QRect(-6.5,(self.rect.height()*x/(self.nin+1)-6),4*3,4*3), self, 'in', x) for x in range(1,self.nin+1) ]
+            output = [NodeSocket(QtCore.QRect(self.rect.width()-6.5,(self.rect.height()*x/(self.nin+1)-6),4*3,4*3), self, 'op', x) for x in range(1,self.nop+1)]
+            return input,output
+
+    def mouseMoveEvent(self, event):
+        super(NodeItem, self).mouseMoveEvent(event)
+        items = self.graphicsView.items()
+        for i in items:
+            if(type(i) == NodeItem):
+                for op in i.output:
+                    for line in op.out_lines:
+                        line.pointA = line.source.get_center()
+                        line.pointB = line.target.get_center()
+                for ip in i.input:
+                    for line in ip.in_lines:
+                        line.pointA = line.source.get_center()
+                        line.pointB = line.target.get_center()
+        self.pos = event.scenePos()
+        self.obj.set_pos(self.pos)
+                
+    def mouseDoubleClickEvent(self, event):
+
+        self.graphicsView.horizontalScrollBarVal = self.graphicsView.horizontalScrollBar().value()
+        self.graphicsView.setInteractive(False)
+        if len(stack):
+            stack[-1].hide()
+        self.dock_widget.show()
+        stack.append(self.dock_widget)
+        self.graphicsView.setInteractive(True)
+
+    def update_tooltip(self):
+        default_tooltip = f"{self.name}\n\n"
+        default_tooltip_dict = self.obj.param_getter_tooltip(self.obj.mode)
+        for i, j in default_tooltip_dict.items():
+            if j is not None:
+                default_tooltip = default_tooltip + f"   {i} : {j}\n"
+        self.setToolTip(default_tooltip)
+
+    def update_tooltip_selectedVar(self):
+        default_tooltip = f"{self.name}\n\n"
+        default_tooltip_dict = self.obj.param_getter_tooltip_selectedVar()
+        for i, j in default_tooltip_dict.items():
+            if j is not None:
+                default_tooltip = default_tooltip + f"   {i} : {j}\n"
+        self.setToolTip(default_tooltip)
+
+    def update_compounds(self):
+        try:
+            self.obj.update_compounds()
+            self.dock_widget.update_compounds()
+        except AttributeError:
+            pass
+
+    def hoverEnterEvent(self, event):
+        super(NodeItem,self).hoverEnterEvent(event)
+        for i in self.graphicsView.items():
+            if(isinstance(i,NodeItem)):
+                for ip in i.input:
+                    ip.show()
+                for op in i.output:
+                    op.show()
+
+    def hoverLeaveEvent(self, event):
+        super(NodeItem,self).hoverLeaveEvent(event)
+        for i in self.graphicsView.items():
+            if(isinstance(i,NodeItem)):
+                for ip in i.input:
+                    ip.hide()
+                for op in i.output:
+                    op.hide()
+
+    def itemChange(self, change, value):
+        newPos = value
+        if change == self.ItemPositionChange and self.scene():
+            rect = self.container.graphicsView.sceneRect()
+            width = self.boundingRect().width()
+            height = self.boundingRect().height()
+            eWH1 = QPointF(newPos.x()+width,newPos.y()+height)
+            eWH2 = QPointF(newPos.x()-width,newPos.y()-height)
+            if not rect.__contains__(eWH1) or not rect.__contains__(eWH2) :
+                newPos.setX(min(rect.right()-width-40, max(newPos.x(), rect.left())))
+                newPos.setY(min(rect.bottom()-height-35, max(newPos.y(), rect.top())))
+                self.obj.set_pos(newPos)
+        return super(NodeItem,self).itemChange(change, newPos)
+        
+def findMainWindow(self):
+    '''
+        Global function to find the (open) QMainWindow in application
+    ''' 
+    app = QApplication.instance()
+    for widget in app.topLevelWidgets():
+        if isinstance(widget, QMainWindow):
+            return widget
+    return None
diff --git a/src/main/python/utils/Streams.py b/src/main/python/utils/Streams.py
new file mode 100644
index 0000000..fa557e6
--- /dev/null
+++ b/src/main/python/utils/Streams.py
@@ -0,0 +1,476 @@
+import json
+import sys,os
+
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from PyQt5.QtCore import *
+from python.utils.ComponentSelector import compound_selected
+
+class MaterialStream():
+    counter = 1
+    def __init__(self, compound_names = []):
+
+        self.name = 'MaterialStream' + str(MaterialStream.counter)
+        self.type = 'MaterialStream'
+
+        self.compound_names = compound_names
+        self.count = MaterialStream.counter
+        self.thermo_package ="RaoultsLaw"
+        self.mode1 = "P"
+        self.mode2 = "T"
+
+        self.mode1_val = ""
+        self.mode2_val = ""
+        self.OM_data_init = ''
+        self.OM_data_eqn = ''
+        self.no_of_inputs = 1
+        self.no_of_outputs = 1
+        self.x = 2500-30
+        self.y = 2500-30
+        self.pos = QPointF(self.x, self.y)
+        MaterialStream.counter+=1
+        self.start_dict = {}
+        self.eqn_dict = {}
+        self.modes_list = ["PT", "PH", "PVF", "TVF", "PS"]
+        self.saved = False
+        self.mode = self.modes_list[0]
+        
+        self.variables = {
+            'P'     : {'name':'Pressure',         'value':101325,    'unit':'Pa'},         
+            'T'     : {'name':'Temperature',      'value':300,       'unit':'K'},
+            
+            'xvap'   : {'name':'Vapour Mole Fraction',          'value':None,       'unit':''},
+            'H_p[1]'  : {'name':'Mixture Molar Enthalpy',        'value':None,       'unit':'J/mol'},
+            'S_p[1]'  : {'name':'Mixture Molar Entropy',        'value':None,       'unit':'J/mol.K'},
+            'F_p[1]'  : {'name':'Mixture Molar Flow',           'value':100,       'unit':'mol/s'},
+            'Fm_p[1]' : {'name':'Mixture Mass Flow',            'value':None,    'unit':'g/s'},
+
+            'H_p[2]'  : {'name':'Liquid Molar Enthalpy',        'value':None,       'unit':'J/mol'},
+            'S_p[2]'  : {'name':'Liquid Molar Entropy',        'value':None,       'unit':'J/mol.K'},
+            'F_p[2]'  : {'name':'Liquid Molar Flow',            'value':None,       'unit':'mol/s'},
+
+            'H_p[3]'  : {'name':'Vapour Molar Enthalpy',        'value':None,       'unit':'J/mol'},
+            'S_p[3]'  : {'name':'Vapour Molar Entropy',        'value':None,       'unit':'J/mol.K'},
+            'F_p[3]'  : {'name':'Vapour Molar Flow',            'value':None,       'unit':'mol/s'},
+
+            'x_pc'  : {'name':'Mole Fraction',    'value':[],      'unit':''},
+            'xm_pc' : {'name':'Mass Fraction',    'value':None,     'unit':''},
+            
+            'F_pc'  : {'name':'Mole Flow',        'value':100,      'unit':'mol/s'},
+            'Fm_pc' : {'name':'Mass Flow',        'value':None,     'unit':'g/s'},
+        }
+        self.init_variables()
+
+    def update_compounds(self):
+        self.compound_names = compound_selected
+
+    def init_variables(self):
+        Nc = len(self.compound_names)
+        for i, val in enumerate(self.compound_names):
+            self.variables['x_pc[1,'+ str(i+1)+']'] = {'name':val + ' Mixture Mole Fraction', 'value':round(1/Nc,4), 'unit':''}
+            self.variables['xm_pc[1,'+ str(i+1)+']'] = {'name':val + ' Mixture Mass Fraction', 'value':None, 'unit':''}
+            self.variables['F_pc[1,'+ str(i+1)+']'] = {'name':val + ' Mixture Mole Flow', 'value':None, 'unit':'mol/s'}
+            self.variables['Fm_pc[1,'+ str(i+1)+']'] = {'name':val + ' Mixture Mass Flow', 'value':None, 'unit':'g/s'}
+
+            self.variables['x_pc[2,'+ str(i+1)+']'] = {'name':[val + ' Liquid Mole Fraction'], 'value':None, 'unit':''}
+            self.variables['xm_pc[2,'+ str(i+1)+']'] = {'name':[val + ' Liquid Mass Fraction'], 'value':None, 'unit':''}
+            self.variables['F_pc[2,'+ str(i+1)+']'] = {'name':[val + ' Liquid Mole Flow'], 'value':None, 'unit':'mol/s'}
+            self.variables['Fm_pc[2,'+ str(i+1)+']'] = {'name':[val + ' Liquid Mass Flow'], 'value':None, 'unit':'g/s'}
+
+            self.variables['x_pc[3,'+ str(i+1)+']'] = {'name':[val + ' Vapour Mole Fraction'], 'value':None, 'unit':''}
+            self.variables['xm_pc[3,'+ str(i+1)+']'] = {'name':[val + ' Vapour Mass Fraction'], 'value':None, 'unit':''}
+            self.variables['F_pc[3,'+ str(i+1)+']'] = {'name':[val + ' Vapour Mole Flow'], 'value':None, 'unit':'mol/s'}
+            self.variables['Fm_pc[3,'+ str(i+1)+']'] = {'name':[val + ' Vapour Mass Flow'], 'value':None, 'unit':'g/s'}
+
+        for i in self.compound_names:
+            self.variables[i] = {'value':''}
+
+    def param_getter_tooltip(self,mode):
+        dict = {}
+
+        temp = []
+        for i, val in enumerate(self.compound_names):
+            try:
+                temp.append(self.variables['x_pc[1,' + str(i+1) + ']']['value'])
+            except:
+                pass
+        self.variables['x_pc']['value'] = temp
+
+        if(mode=="PT"):
+            self.mode1 = 'P'
+            self.mode2 = 'T'
+            mode1_n = self.variables['P']['name']
+            mode2_n = self.variables['T']['name']
+            dict = {mode1_n:str(self.variables['P']['value'])+' '+self.variables['P']['unit'], 
+					mode2_n:str(self.variables['T']['value'])+' '+self.variables['T']['unit']}
+        elif(mode=="PH"):
+            self.mode1 = 'P'
+            self.mode2 = 'H_p[1]'
+            mode1_n = self.variables['P']['name']
+            mode2_n = self.variables['H_p[1]']['name']
+				
+            dict = {mode1_n:str(self.variables['P']['value'])+' '+self.variables['P']['unit'], 
+		    		mode2_n:str(self.variables['H_p[1]']['value'])+' '+self.variables['H_p[1]']['unit']}
+        elif(mode=="PVF"):
+            self.mode1 = 'P'
+            self.mode2 = 'xvap'
+            mode1_n = self.variables['P']['name']
+            mode2_n = self.variables['xvap']['name']
+		
+            dict = {mode1_n:str(self.variables['P']['value'])+' '+self.variables['P']['unit'], 
+					mode2_n:str(self.variables['xvap']['value'])+' '+self.variables['xvap']['unit']}
+        elif(mode=="TVF"):
+            self.mode1 = 'T'
+            self.mode2 = 'xvap'
+            mode1_n = self.variables['T']['name']
+            mode2_n = self.variables['xvap']['name']
+            dict = {mode1_n:str(self.variables['T']['value'])+' '+self.variables['T']['unit'], 
+					mode2_n:str(self.variables['xvap']['value'])+' '+self.variables['xvap']['unit']}
+			
+        elif(mode=="PS"):
+            self.mode1 = 'P'
+            self.mode2 = 'S_p[1]'
+            mode1_n = self.variables['P']['name']
+            mode2_n = self.variables['S_p[1]']['name']
+
+            dict = {mode1_n:str(self.variables['P']['value'])+' '+self.variables['P']['unit'], 
+					mode2_n:str(self.variables['S_p[1]']['value'])+' '+self.variables['S_p[1]']['unit']}
+				
+        dict['Mole Flow'] = str(self.variables['F_p[1]']['value'])+' '+self.variables['F_p[1]']['unit']
+        dict[self.variables['x_pc']['name']] = str(self.variables['x_pc']['value'])+' '+self.variables['x_pc']['unit']
+        dict['Thermo Package'] = self.thermo_package
+        return dict
+    
+    def param_getter_tooltip_selectedVar(self):
+        dict = {}
+
+        pressure_name = self.variables['P']['name']
+        pressure_val = self.variables['P']['value']
+        pressure_unit =  self.variables['P']['unit']
+        temp_name = self.variables['T']['name']
+        temp_val = self.variables['T']['value']
+        temp_unit =  self.variables['T']['unit']
+        mixMolEntal_name = self.variables['H_p[1]']['name']
+        mixMolEntal_val = self.variables['H_p[1]']['value']
+        if mixMolEntal_val != None:
+            mixMolEntal_val = round(float(self.variables['H_p[1]']['value']),4)
+        mixMolEntal_unit =  self.variables['H_p[1]']['unit']
+        mixMolEntro_name = self.variables['S_p[1]']['name']
+        mixMolEntro_val = self.variables['S_p[1]']['value']
+        if mixMolEntro_val != None:
+            mixMolEntro_val = round(float(self.variables['S_p[1]']['value']),4)
+        mixMolEntro_unit =  self.variables['S_p[1]']['unit']
+        vapMolFrac_name = self.variables['xvap']['name']
+        vapMolFrac_val = self.variables['xvap']['value']
+        vapMolFrac_unit =  self.variables['xvap']['unit']
+        mixMolFlo_name = self.variables['F_p[1]']['name']
+        mixMolFlo_val = self.variables['F_p[1]']['value']
+        mixMolFlo_unit =  self.variables['F_p[1]']['unit']
+        mixMassFlo_name = self.variables['Fm_p[1]']['name']
+        mixMassFlo_val = self.variables['Fm_p[1]']['value']
+        if mixMassFlo_val != None:
+            mixMassFlo_val = round(float(self.variables['Fm_p[1]']['value']),4)
+        mixMassFlo_unit =  self.variables['Fm_p[1]']['unit']
+        
+        dict = {pressure_name:str(pressure_val)+' '+pressure_unit, 
+                temp_name:str(temp_val)+' '+temp_unit,
+                vapMolFrac_name:str(vapMolFrac_val)+' '+vapMolFrac_unit,
+				mixMolEntal_name:str(mixMolEntal_val)+' '+mixMolEntal_unit,
+                mixMolEntro_name:str(mixMolEntro_val)+' '+mixMolEntro_unit,
+                mixMolFlo_name:str(mixMolFlo_val)+' '+mixMolFlo_unit,
+                mixMassFlo_name:str(mixMassFlo_val)+' '+mixMassFlo_unit}
+        return dict
+
+    def param_getter(self,mode):
+        dict = {}
+
+        temp = []
+        for i, val in enumerate(self.compound_names):
+            try:
+                temp.append(self.variables['x_pc[1,' + str(i+1) + ']']['value'])
+            except:
+                pass
+        self.variables['x_pc']['value'] = temp
+
+        pressure_val = self.variables['P']['value']
+        temp_val = self.variables['T']['value']
+        mixMolFlo_val = self.variables['F_p[1]']['value']
+        mixMolEntal_val = self.variables['H_p[1]']['value']
+        vapMolFrac_val = self.variables['xvap']['value']
+        mixMolEntro_val = self.variables['S_p[1]']['value']
+
+        if pressure_val != None:
+            pressure_val = round(float(self.variables['P']['value']),4)
+        if temp_val != None:
+            temp_val = round(float(self.variables['T']['value']),4)
+        if mixMolFlo_val != None:
+            mixMolFlo_val = round(float(self.variables['F_p[1]']['value']),4)
+        if mixMolEntal_val != None:
+            mixMolEntal_val = round(float(self.variables['H_p[1]']['value']),4)
+        if vapMolFrac_val != None:
+            vapMolFrac_val = round(float(self.variables['xvap']['value']),4)
+        if mixMolEntro_val != None:
+            mixMolEntro_val = round(float(self.variables['S_p[1]']['value']),4)
+        if(mode=="PT"):
+            self.mode1 = 'P'
+            self.mode2 = 'T'
+
+            dict = {self.mode1:pressure_val, self.mode2:temp_val,
+                    "MolFlow":mixMolFlo_val,"x_pc":self.variables['x_pc']['value'],
+                    "Thermo Package": self.thermo_package}
+            #print('dictionary is :' + str(dict))
+
+        elif(mode=="PH"):
+            self.mode1 = 'P'
+            self.mode2 = 'H_p[1]'
+            dict = {self.mode1:pressure_val, self.mode2:mixMolEntal_val,
+                    "MolFlow":mixMolFlo_val, "x_pc":self.variables['x_pc']['value'],
+                    "Thermo Package": self.thermo_package}
+        elif(mode=="PVF"):
+            self.mode1 = 'P'
+            self.mode2 = 'xvap'
+            dict = {self.mode1:pressure_val, self.mode2:vapMolFrac_val,
+                    "MolFlow":mixMolFlo_val, "x_pc":self.variables['x_pc']['value'],
+                    "Thermo Package": self.thermo_package}
+        elif(mode=="TVF"):
+            self.mode1 = 'T'
+            self.mode2 = 'xvap'
+            dict = {self.mode1:temp_val, self.mode2:vapMolFrac_val,
+                    "MolFlow":mixMolFlo_val, "x_pc":self.variables['x_pc']['value'],
+                    "Thermo Package": self.thermo_package}
+        elif(mode=="PS"):
+            self.mode1 = 'P'
+            self.mode2 = 'S_p[1]'
+            dict = {self.mode1:pressure_val, self.mode2: mixMolEntro_val,
+                    "MolFlow":mixMolFlo_val, "x_pc":self.variables['x_pc']['value'],
+                    "Thermo Package": self.thermo_package}
+        
+        return dict
+
+    def param_setter(self,dict):
+        self.variables['x_pc']['value'] = dict['x_pc'].split(",")
+        #print('xpc is :' + str(self.variables['x_pc']['value']))
+        self.thermo_package = dict['Thermo Package']
+        self.variables['F_p[1]']['value'] = dict['MolFlow']
+        self.variables[self.mode1]['value'] = dict[self.mode1]
+        self.variables[self.mode2]['value'] = dict[self.mode2]
+        
+        for i in range(len(self.compound_names)):
+            if self.variables['x_pc']['value'][i]:
+                self.variables['x_pc[1,'+str(i+1)+']']['value'] = self.variables['x_pc']['value'][i]
+            else:
+                self.variables['x_pc[1,'+str(i+1)+']']['value'] = None
+            self.variables['xm_pc[1,'+str(i+1)+']']['value'] = self.variables['xm_pc']['value']
+
+            self.variables['F_pc[1,'+str(i+1)+']']['value'] = None
+            self.variables['Fm_pc[1,'+str(i+1)+']']['value'] = None
+        for i in range(0,len(self.compound_names)):
+            self.variables['x_pc[2,'+str(i+1)+']']['value'] = None
+            self.variables['xm_pc[2,'+str(i+1)+']']['value'] = None
+            self.variables['F_pc[2,'+str(i+1)+']']['value'] = None
+            self.variables['Fm_pc[2,'+str(i+1)+']']['value'] = None
+
+            self.variables['x_pc[3,'+str(i+1)+']']['value'] = None
+            self.variables['xm_pc[3,'+str(i+1)+']']['value'] = None
+            self.variables['F_pc[3,'+str(i+1)+']']['value'] = None
+            self.variables['Fm_pc[3,'+str(i+1)+']']['value'] = None 
+    
+    def set_pos(self,pos):
+        self.pos = pos
+
+    def get_min_eqn_values(self):
+        x_pclist = []
+        for i in range(0,len(self.compound_names)):
+            x_pclist.append(self.variables['x_pc[1,'+str(i+1)+']']['value'])
+        x_pc = json.dumps(x_pclist)
+        x_pc = x_pc.replace('[','{')
+        x_pc = x_pc.replace(']','}')
+        x_pc = x_pc.replace('"','')
+        
+        if self.variables[self.mode1]['value']:
+            self.eqn_dict[self.mode1] = self.variables[self.mode1]['value']
+        if self.variables[self.mode2]['value']:
+            self.eqn_dict[self.mode2] = self.variables[self.mode2]['value']
+        if self.variables['x_pc']['value']:
+            self.eqn_dict['x_pc[1,:]'] = x_pc
+        if self.variables['F_pc']['value']:
+            self.eqn_dict['F_p[1]'] = self.variables['F_p[1]']['value']
+
+    def get_start_values(self):
+        try:
+            if self.variables[self.mode1]['value']:
+                self.start_dict[self.mode1] = self.variables[self.mode1]['value']
+            
+            if self.variables[self.mode2]['value']:
+                self.start_dict[self.mode2] = self.variables[self.mode2]['value']
+            
+
+            if self.variables['x_pc[2,1]']['value'] != None:
+                x_pcarr = []
+                for i in range(1,4):
+                    cmf = []
+                    for j in range(1,len(self.compound_names)+1):
+                        cmf.append(str(self.variables['x_pc['+str(i)+','+str(j)+']']['value']))
+                    x_pcarr.append(cmf)
+                x_pcstr = json.dumps(x_pcarr)
+                x_pcstr = x_pcstr.replace('[','{')
+                x_pcstr = x_pcstr.replace(']','}')
+                x_pcstr = x_pcstr.replace('"','')
+                self.start_dict['x_pc'] = x_pcstr
+
+            if self.variables['xm_pc[2,1]']['value'] != None:
+                xm_pcarr = []
+                for i in range(1,4):
+                    cmf = []
+                    for j in range(1,len(self.compound_names)+1):
+                        cmf.append(str(self.variables['xm_pc['+str(i)+','+str(j)+']']['value']))
+                    xm_pcarr.append(cmf)
+                xm_pcstr = json.dumps(x_pcarr)
+                xm_pcstr = xm_pcstr.replace('[','{')
+                xm_pcstr = xm_pcstr.replace(']','}')
+                xm_pcstr = xm_pcstr.replace('"','')
+                self.start_dict['xm_pc'] = xm_pcstr
+
+            if self.variables['Fm_pc[2,1]']['value'] != None:
+                Fm_pcarr = []
+                for i in range(1,4):
+                    cmf = []
+                    for j in range(1,len(self.compound_names)+1):
+                        cmf.append(str(self.variables['Fm_pc['+str(i)+','+str(j)+']']['value']))
+                    Fm_pcarr.append(cmf)
+                Fm_pcstr = json.dumps(x_pcarr)
+                Fm_pcstr = Fm_pcstr.replace('[','{')
+                Fm_pcstr = Fm_pcstr.replace(']','}')
+                Fm_pcstr = Fm_pcstr.replace('"','')
+                self.start_dict['Fm_pc'] = Fm_pcstr
+
+            if self.variables['F_pc[2,1]']['value'] != None:
+                F_pcarr = []
+                for i in range(1,4):
+                    cmf = []
+                    for j in range(1,len(self.compound_names)+1):
+                        cmf.append(str(self.variables['F_pc['+str(i)+','+str(j)+']']['value']))
+                    F_pcarr.append(cmf)
+                F_pcstr = json.dumps(F_pcarr)
+                F_pcstr = F_pcstr.replace('[','{')
+                F_pcstr = F_pcstr.replace(']','}')
+                F_pcstr = F_pcstr.replace('"','')
+                self.start_dict['F_pc'] = F_pcstr
+
+            if self.variables['MW_p[2]']['value'] != None:
+                MW_pArr = []
+                for i in range(1,4):
+                    MW_pArr.append(self.variables['MW_p['+str(i)+']']['value'])
+                MW_pStr = json.dumps(MW_pArr)
+                MW_pStr = MW_pStr.replace('[','{')
+                MW_pStr = MW_pStr.replace(']','}')
+                MW_pStr = MW_pStr.replace('"','')
+                self.start_dict['MW_p'] = MW_pStr
+
+            if self.variables['F_p[2]']['value'] != None:
+                F_pArr = []
+                for i in range(1,4):
+                    F_pArr.append(self.variables['F_p['+str(i)+']']['value'])
+                F_pStr = json.dumps(F_pArr)
+                F_pStr = F_pStr.replace('[','{')
+                F_pStr = F_pStr.replace(']','}')
+                F_pStr = F_pStr.replace('"','')
+                self.start_dict['F_p'] = F_pStr
+
+            if self.variables['Cp_p[2]']['value'] != None:
+                Cp_pArr = []
+                for i in range(1,4):
+                    Cp_pArr.append(self.variables['Cp_p['+str(i)+']']['value'])
+                Cp_pStr = json.dumps(Cp_pArr)
+                Cp_pStr = Cp_pStr.replace('[','{')
+                Cp_pStr = Cp_pStr.replace(']','}')
+                Cp_pStr = Cp_pStr.replace('"','')
+                self.start_dict['Cp_p'] = Cp_pStr
+
+            if self.variables['H_p[2]']['value'] != None:
+                H_pArr = []
+                for i in range(1,4):
+                    H_pArr.append(self.variables['H_p['+str(i)+']']['value'])
+                H_pStr = json.dumps(H_pArr)
+                H_pStr = H_pStr.replace('[','{')
+                H_pStr = H_pStr.replace(']','}')
+                H_pStr = H_pStr.replace('"','')
+                self.start_dict['H_p'] = H_pStr
+
+
+            if self.variables['S_p[2]']['value'] != None:
+                S_pArr = []
+                for i in range(1,4):
+                    S_pArr.append(self.variables['S_p['+str(i)+']']['value'])
+                S_pStr = json.dumps(S_pArr)
+                S_pStr = S_pStr.replace('[','{')
+                S_pStr = S_pStr.replace(']','}')
+                S_pStr = S_pStr.replace('"','')
+                self.start_dict['S_p'] = S_pStr
+
+            if self.variables['Fm_p[2]']['value'] != None:
+                Fm_pArr = []
+                for i in range(1,4):
+                    Fm_pArr.append(self.variables['Fm_p['+str(i)+']']['value'])
+                Fm_pStr = json.dumps(Fm_pArr)
+                Fm_pStr = Fm_pStr.replace('[','{')
+                Fm_pStr = Fm_pStr.replace(']','}')
+                Fm_pStr = Fm_pStr.replace('"','')
+                self.start_dict['Fm_p'] = Fm_pStr
+
+        except Exception as e:
+            exc_type, exc_obj, exc_tb = sys.exc_info()
+            # print(exc_type,exc_tb.tb_lineno)
+            # print(e)
+            # print('error')
+
+    def OM_Flowsheet_Initialize(self,addedcomp):
+        self.OM_data_init = ''
+        self.OM_data_init = self.OM_data_init + ("model ms"+str(self.count)+"\n")
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Streams.MaterialStream;\n" )
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.Files.ThermodynamicPackages."+self.thermo_package+";\n")
+        self.OM_data_init = self.OM_data_init + ("end ms"+str(self.count)+";\n")
+        comp_count = len(addedcomp)
+       
+        self.OM_data_init = self.OM_data_init + "ms"+str(self.count) +" " + self.name +"(Nc = " + str(comp_count)
+        self.OM_data_init = self.OM_data_init + ",C = {"
+        C = str(addedcomp).strip('[').strip(']')
+        C = C.replace("'","")
+        self.OM_data_init = self.OM_data_init + C + "},"
+        
+        self.OM_data_init = self.OM_data_init[:-1]
+        self.OM_data_init = self.OM_data_init + ');\n'        
+        return self.OM_data_init
+
+    def OM_Flowsheet_Equation(self,addedcomp,method):
+        self.OM_data_eqn = ''
+        self.comp_count = len(addedcomp)
+        if method == 'Eqn':
+            self.eqn_dict = {}
+            self.get_min_eqn_values()
+        if method == 'SM':
+            self.eqn_dict = {}
+            self.get_min_eqn_values()
+           
+        for key,value in self.eqn_dict.items():
+            self.OM_data_eqn = self.OM_data_eqn + self.name + '.'+ key + ' = ' + str(value) + ';\n'
+        return self.OM_data_eqn
+    
+    def disableInputDataTab(self,dockwidget):
+        #setting the value of input data tab in dock widget and disabling them
+        dockwidget.comboBox.setDisabled(True)
+        dockwidget.input_dict['P'].setText(str(round(float(self.variables['P']['value']),4)))
+        dockwidget.input_dict['P'].setDisabled(True)
+        dockwidget.input_dict['T'].setText(str(round(float(self.variables['T']['value']),4)))
+        dockwidget.input_dict['T'].setDisabled(True)
+        dockwidget.input_dict['MolFlow'].setText(str(round(float(self.variables['F_p[1]']['value']),4)))
+        dockwidget.input_dict['MolFlow'].setDisabled(True)
+        dockwidget.cbTP.setCurrentText(str(self.thermo_package))
+        dockwidget.cbTP.setDisabled(True)
+        dockwidget.pushButton_2.setDisabled(True)
+        for index,k in enumerate(dockwidget.x_pclist):
+            k.setText(str(round(float(self.variables['x_pc[1,'+ str(index+1)+']']['value']),4)))
+            k.setDisabled(True)
diff --git a/src/main/python/utils/UnitOperations.py b/src/main/python/utils/UnitOperations.py
new file mode 100644
index 0000000..86a1ad7
--- /dev/null
+++ b/src/main/python/utils/UnitOperations.py
@@ -0,0 +1,739 @@
+import os,sys
+import json
+current = os.path.dirname(os.path.realpath(__file__))
+parent = os.path.dirname(current)
+parentPath = os.path.dirname(parent)
+sys.path.append(parentPath)
+
+from python.OMChem.Flowsheet import Flowsheet
+from python.OMChem.EngStm import EngStm
+from python.utils.ComponentSelector import *
+from python.utils.Container import *
+from PyQt5.QtCore import *
+
+class UnitOperation():
+    counter = 1
+    def __init__(self):
+        self.OM_data_eqn = ''
+        self.OM_data_init = ''
+        self.input_stms = {}
+        self.output_stms = {}
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
+        self.name = ''
+        self.mode = None
+        self.mode_val = None
+        self.type = ''
+        self.no_of_inputs = 1
+        self.no_of_outputs = 1
+        self.x = 2500-30 
+        self.y = 2500-30
+        self.pos = QPointF(self.x, self.y)
+        self.count = UnitOperation.counter
+        self.variables = {}
+        self.modes_list = []
+        self.parameters = []
+        self.extra = []
+        self.for_naming = []
+        self.multidict = []
+        self.thermo_pack_req = False
+        self.thermo_package = 'RaoultsLaw'
+        self.saved = False
+
+    def param_getter(self,mode=None):
+        params = {}
+        if mode == None and self.modes_list:
+            self.mode = self.modes_list[0]
+        else:
+            self.mode = mode
+            params[self.mode] = None
+        for i in self.parameters:
+            params[i] = self.variables[i]['value']
+        
+        return params
+    
+    def param_getter_tooltip(self,mode=None):
+        params = {}
+        if mode == None and self.modes_list:
+            self.mode = self.modes_list[0]
+        else:
+            self.mode = mode
+            params[self.mode] = None
+        for i in self.parameters:
+            params[self.variables[i]['name']] = str(self.variables[i]['value'])+' '+self.variables[i]['unit']
+        
+        return params
+        
+    def param_setter(self,params):
+        #print("param_setter ", params)
+        try:
+            self.mode = list(params.keys())[0]
+        except Exception as e:
+            print(e)
+        for k,v in params.items():
+            if k == 'Thermo Package':
+                self.thermo_package = v
+            elif k != self.mode:
+                self.k = v
+                self.variables[k]['value'] = v
+            else:
+                self.variables[k]['value'] = v
+                self.mode_val = params[self.mode]
+
+
+    def add_connection(self,flag,sourceId, UnitOpr):
+        if flag==1:                 # Input stream if flag is 1
+            self.input_stms[sourceId] = UnitOpr
+        else :
+            self.output_stms[sourceId] = UnitOpr
+
+    def set_pos(self,pos):
+        self.pos = pos
+
+    def update_compounds(self):
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
+
+    def OM_Flowsheet_Initialize(self):
+        self.OM_data_init = ''
+
+        if(self.thermo_pack_req):
+            if len(self.extra)>1:
+                for i in range(len(self.extra)):
+                    latest = ''
+                    for j in range(self.extra[i]):
+                        if self.extra[i][j]!='.':
+                            latest += self.extra[i][j]
+                        self.for_naming[i] = latest   
+
+        if(self.thermo_pack_req):
+            if len(self.extra)==1:
+                for i in self.extra:
+                    self.OM_data_init += ('model '+i+str(self.counter)+'\n')
+                    self.OM_data_init += ('extends Simulator.UnitOperations.'+i+';\n')
+                    self.OM_data_init += ('extends Simulator.Files.ThermodynamicPackages.'+self.thermo_package+';\n')
+                    self.OM_data_init += ('end '+i+str(self.counter)+';\n')
+
+                    self.OM_data_init += i+str(self.counter) + ' ' + self.name + '(Nc = ' + str(len(self.compounds)) 
+            else:
+                for i in range(len(self.extra)):
+                    if i!=(len(self.extra)-1):
+                        self.OM_data_init += ('model '+self.for_naming[i]+str(self.counter)+'\n')
+                        self.OM_data_init += ('extends Simulator.UnitOperations.'+self.extra[i]+';\n')
+                        self.OM_data_init += ('extends Simulator.Files.ThermodynamicPackages.'+self.thermo_package+';\n')
+                        self.OM_data_init += ('end '+self.for_naming[i]+str(self.counter)+';\n')
+                    else:
+                        self.OM_data_init += ('model '+self.for_naming[i]+str(self.counter)+'\n')
+                        self.OM_data_init += ('extends Simulator.UnitOperations.'+self.extra[i]+';\n')
+                        for j in range(len(self.extra)-1):
+                            self.OM_data_init += (self.for_naming[j] + str(self.counter) +' ' + self.for_naming[j] + '#' + self.multidict[j] + ';\n')
+
+                            self.OM_data_init += ('end '+self.for_naming[i]+str(self.counter)+';\n')
+
+                    self.OM_data_init += self.for_naming[i] + str(self.counter) + ' ' + self.for_naming + '(Nc = ' + str(len(self.compounds))
+                 
+            C = str(self.compounds).strip('[').strip(']')
+            C = C.replace("'", "")  
+            self.OM_data_init += ',C = {' + C + '}'  
+
+            for k in self.parameters:
+                if(k == 'HKey_x_pc' or k == 'LKey_x_pc'):
+                    continue
+                self.OM_data_init += ', '
+                self.OM_data_init += k + ' = ' + (json.dumps(self.variables[k]['value']) if json.dumps(self.variables[k]['value']).replace('"', '').replace('_', '').isalpha()
+                                                   else json.dumps(self.variables[k]['value']).replace('[', '{').replace(']', '}').replace('"', ''))
+
+            self.OM_data_init += ');\n'
+
+        else: 
+            self.OM_data_init += 'Simulator.UnitOperations.' + self.type + ' ' + self.name + '(Nc = ' + str(len(self.compounds))
+            C = str(self.compounds).strip('[').strip(']')
+            C = C.replace("'", "")  
+            self.OM_data_init += ',C = {' + C + '}'
+
+            for k in self.parameters:
+                self.OM_data_init += ', '
+                self.OM_data_init += k + ' = ' + (json.dumps(self.variables[k]['value']) if json.dumps(self.variables[k]['value']).replace('"', '').replace('_', '').isalpha()
+                                                   else json.dumps(self.variables[k]['value']).replace('[', '{').replace(']', '}').replace('"', ''))
+
+            self.OM_data_init += ');\n'
+        return self.OM_data_init  
+
+    
+    def OM_Flowsheet_Equation(self):
+        self.OM_data_eqn = ''
+
+        if len(self.input_stms)>1 or self.type == 'Mixer':
+            strcount = 1
+            for strm in self.input_stms.values():
+                self.OM_data_eqn += ('connect(' + strm.name + '.Out,' + self.name + '.In[' + str(strcount) + ']);\n')
+                strcount += 1
+        else:
+            #print(self.input_stms)
+            self.OM_data_eqn += ('connect(' + self.name + '.In,' + self.input_stms[1].name + '.Out);\n')
+
+        if len(self.output_stms)>1:
+            strcount = 1
+            for strm in self.output_stms.values():
+                self.OM_data_eqn += ('connect(' + strm.name + '.In,' + self.name + '.Out[' + str(strcount) + ']);\n')
+                strcount += 1
+        else:
+            #print("self.output_stms ", self.output_stms)
+            try:
+                self.OM_data_eqn += ('connect(' + self.name + '.Out,' + self.output_stms[1].name + '.In);\n')
+            except:
+                pass
+        if self.mode:
+            self.OM_data_eqn += (self.name + '.' + self.mode + '=' + str(self.mode_val) + ';\n')
+
+        return self.OM_data_eqn
+
+class ShortcutColumn(UnitOperation):
+    def __init__(self, CompNames = [], name='ShortcutColumn'):
+        UnitOperation.__init__(self)
+        self.name = name + str(ShortcutColumn.counter) 
+        self.type = 'ShortcutColumn'
+        self.no_of_inputs = 1 
+        self.no_of_outputs = 2  
+        self.EngStm1 = EngStm(name='EngStm1'+self.name)
+        self.EngStm2 = EngStm(name='EngStm2'+self.name)
+        self.count = ShortcutColumn.counter
+
+        self.extra = ['ShortcutColumn']
+        self.for_naming = ['ShortcutColumn']
+        self.thermo_pack_req = True
+
+        self.parameters = ['HKey', 'LKey', 'HKey_x_pc', 'LKey_x_pc', 'Ctype', 'Pcond', 'Preb', 'RR']
+        self.result_parameters = ['RRmin', 'Ntmin', 'Nt', 'Intray', 'Fliqstrip', 'Fliqrec', 'Fvapstrip', 'Fvaprec', 'Qc', 'Qr']
+        type(self).counter += 1
+
+        self.variables = {
+            'HKey'  :           {'name':'Heavy Key',                    'value': 0,           'unit':''},
+            'LKey'  :           {'name':'Light Key',                    'value': 0,           'unit':''},
+            'HKey_x_pc' :       {'name':'Heavy Key Mole Fraction',      'value':0.01,           'unit':''},
+            'LKey_x_pc' :       {'name':'Light Key Mole Fraction',      'value':0.01,           'unit':''},
+            'Ctype' :           {'name':'Condenser Type',               'value':'Total',           'unit':''},
+            'thermo_package' :  {'name':'Thermo Package',               'value':'Raoults_Law',  'unit':''},
+            'Pcond' :           {'name':'Condenser Pressure',           'value':101325,         'unit':'Pa'},
+            'Preb'  :           {'name':'Reboiler Pressure',            'value':101325,         'unit':'Pa'},
+            'RR'    :           {'name':'Reflux Ratio',                 'value':1.5,            'unit':''},
+            
+            'RRmin' :           {'name':'Minimum Reflux Ratio',         'value': None ,     'unit':''},
+            'Ntmin' :           {'name':'Minimum Number of Stages',     'value': None,      'unit':''},
+            'Nt'    :           {'name':'Actual Number of Stages',      'value': None,      'unit':''},
+            'Intray'   :        {'name':'Optimal Feed Stage',           'value': None,      'unit':''},
+            'Fliqstrip' :       {'name':'Stripping Liquid',             'value': None,      'unit':'mol/s'},
+            'Fliqrec'   :       {'name':'Rectification Liquid',         'value': None,      'unit':'mol/s'},
+            'Fvapstrip' :       {'name':'Stripping Vapor',              'value': None,      'unit':'mol/s'},
+            'Fvaprec'   :       {'name':'Recification Vapour',          'value': None,      'unit':'mol/s'},
+            'Qc'    :           {'name':'Conderser Duty',               'value': None,      'unit':'W'},
+            'Qr'    :           {'name':'Reboiler Duty',                'value': None,      'unit':'W'},
+
+        } 
+
+    def update_compounds(self):
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
+
+    def param_setter(self,params):
+        #print("param_setter ", params)
+        self.variables['HKey']['value'] = self.compounds.index(params[0]) + 1
+        self.variables['LKey']['value'] = self.compounds.index(params[1]) + 1
+        self.variables['HKey_x_pc']['value'] = params[2]
+        self.variables['LKey_x_pc']['value'] = params[3]
+        self.variables['Ctype']['value'] = params[4]
+        self.variables['Pcond']['value'] = params[5]
+        self.variables['Preb']['value'] = params[6]
+        self.variables['RR']['value'] = params[7]
+        self.variables['thermo_package']['value'] = params[8]
+
+    def OM_Flowsheet_Equation(self):
+        self.OM_data_eqn = ''
+       
+        self.OM_data_eqn += ('connect(' + self.name + '.In,' + self.input_stms[1].name + '.Out);\n')
+
+        strcount = 1
+        for strm in self.output_stms.values():
+            self.OM_data_eqn += ('connect(' + strm.name + '.In,' + self.name + '.Out' + str(strcount) + ');\n')
+            strcount += 1
+
+        self.OM_data_eqn += (self.name + '.x_pc[2, ' + self.name + '.HKey] = ' + str(self.variables['HKey_x_pc']['value'])  + ';\n')
+        self.OM_data_eqn += (self.name + '.x_pc[3, ' + self.name + '.LKey] = ' + str(self.variables['LKey_x_pc']['value'])  + ';\n')
+        
+        return self.OM_data_eqn
+
+class DistillationColumn(UnitOperation):
+    def __init__(self,name='DistillationColumn'):
+        UnitOperation.__init__(self)
+        self.name = name + str(DistillationColumn.counter) 
+        self.type = 'DistillationColumn'
+        self.no_of_inputs = 1 
+        self.no_of_outputs = 2
+        self.EngStm1 = EngStm(name='EngStm1'+self.name)
+        self.EngStm2 = EngStm(name='EngStm2'+self.name)
+        self.count = DistillationColumn.counter
+        self.thermo_pack_req = True
+        self.modes_list = []
+        self.parameters = ['Nt', 'Ni', 'Ctype', 'Pcond', 'condmode', 'C_comp', 'C_Spec', 'Preb', 'rebmode', 'rebcomp', 'R_Spec']
+        self.result_parameters = ['Cduty.Q', 'Rduty.Q']
+        self.Cspec_list = ['Reflux Ratio','Product Molar Flow   (mol/s)', 'Temperature  (K)', 'Compound Molar Fraction',    'Compound Molar Flow    (mol/s)']
+        self.Rspec_list = ['Product Molar Flow   (mol/s)', 'Temperature  (K)', 'Compound Molar Fraction',    'Compound Molar Flow    (mol/s)']
+
+        type(self).counter += 1  
+        self.variables = {
+            'Ni'   :            {'name':'Number of Input',          'value':1,              'unit':''},
+            'RR'    :           {'name':'Reflux Ratio',             'value':None,           'unit':''},
+            'T'     :           {'name':'Temperature',              'value':300,            'unit':'K'},
+            'Nout'  :           {'name':'No of Sidedraws',          'value':None,           'unit':''},
+            'Nt'    :           {'name':'No of Stages',             'value':12,             'unit':''},
+            'InT_s' :           {'name':'Feed Stage',              'value':[],           'unit':''},
+            'thermo_package' :  {'name':'Thermo Package',           'value':'Raoults_Law',  'unit':''},
+            'Ctype' :           {'name':'Condenser Type',           'value':'Total',             'unit':''},
+            'Pcond' :           {'name':'Condenser Pressure',       'value':101325,         'unit':'Pa'},
+            'Preb'  :           {'name':'Reboiler Pressure',        'value':101325,         'unit':'Pa'},
+            'C_Spec':           {'name':'Condenser Specification',  'type':self.Cspec_list[0],  'value':'',         'comp':compound_selected[0],      'unit':''},
+            'R_Spec':           {'name':'Reboiler Specification',   'type':self.Rspec_list[0],       'value':'',         'comp':compound_selected[0],      'unit':''},
+            'Cduty.Q':          {'name':'Condenser Duty', 'value': '', 'unit':'W'},
+            'Rduty.Q':          {'name':'Reboiler Duty', 'value': '', 'unit': 'W'},
+            'Stages.T':         {'name':'Stagewise Temperature', 'value':[], 'unit':'K'},
+            'Stages.x_pc':      {'name': 'Stagewise Component Mole Fraction', 'value':[],'unit':''}
+        }
+
+    def update_compounds(self):
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
+
+    def param_setter(self,params):
+        #print("param_setter ", params)
+        temp = 0
+        self.variables['Nt']['value'] = params[0]
+        for i in range(self.variables['Ni']['value']):
+            self.variables['InT_s']['value'].append(params[i+1])
+            temp = i + 1
+        
+        self.variables['Ctype']['value'] = params[temp+1]
+        self.variables['Pcond']['value'] = params[temp+2]
+        self.variables['C_Spec']['type'] = params[temp+3]
+        if 'Compound' in self.variables['C_Spec']['type']:
+            self.variables['C_Spec']['comp'] = params[temp+4]
+        # C_Spec variable value won't be updated to class here. It will be updated in result
+        self.variables['C_Spec']['value'] = params[temp+5]
+        for var in self.variables:
+            if self.variables[var]['name'] == self.variables['C_Spec']['type']:
+                self.variables[var]['value'] = params[temp+5]
+
+        self.variables['Preb']['value'] = params[temp+6]
+        # R_Spec variable value won't be updated to class here. It will be updated in result
+        self.variables['R_Spec']['type'] = params[temp+7]
+        if 'Compound' in self.variables['R_Spec']['type']:
+            self.variables['R_Spec']['comp'] = params[temp+8]
+        self.variables['R_Spec']['value'] = params[temp+9]
+        self.variables['thermo_package']['value'] = params[temp+10]
+        #print(self.variables)
+
+    def OM_Flowsheet_Initialize(self):
+        self.OM_data_init = ''
+        self.OM_data_init = self.OM_data_init + 'model Condenser\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.UnitOperations.DistillationColumn.Cond;\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.Files.ThermodynamicPackages.' + self.thermo_package + ';\n'
+        self.OM_data_init = self.OM_data_init + 'end Condenser;\n'
+        self.OM_data_init = self.OM_data_init + 'model Tray\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.UnitOperations.DistillationColumn.DistTray;\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.Files.ThermodynamicPackages.' + self.thermo_package + ';\n'
+        self.OM_data_init = self.OM_data_init + 'end Tray;\n'
+        self.OM_data_init = self.OM_data_init + 'model Reboiler\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.UnitOperations.DistillationColumn.Reb;\n'
+        self.OM_data_init = self.OM_data_init + 'extends Simulator.Files.ThermodynamicPackages.' + self.thermo_package + ';\n'
+        self.OM_data_init = self.OM_data_init + 'end Reboiler;\n'
+        self.OM_data_init = self.OM_data_init + ("model distCol" + str(self.count) + "\n")
+        self.OM_data_init = self.OM_data_init + ("extends Simulator.UnitOperations.DistillationColumn.DistCol;\n")
+        self.OM_data_init = self.OM_data_init + (
+             "Condenser condenser(Nc = Nc, C = C, Ctype =Ctype, Bin = Bin_t[1], T(start = 300));\n")
+        self.OM_data_init = self.OM_data_init + (
+            "Reboiler reboiler(Nc = Nc, C = C, Bin = Bin_t[Nt]);\n")
+        self.OM_data_init = self.OM_data_init + (
+             "Tray tray[Nt - 2](each Nc = Nc, each C = C, Bin = Bin_t[2:Nt - 1]);\n")
+        self.OM_data_init = self.OM_data_init + ("end distCol" + str(self.count) + ";\n")
+        comp_count = len(self.compounds)
+        self.OM_data_init = self.OM_data_init + (
+                "distCol" + str(self.count) + " " + self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (", C= C")
+
+        self.OM_data_init = self.OM_data_init + "," + (
+                    "Nt=" + str(self.variables['Nt']['value']) + "," + "Ni="
+                    + str(self.variables['Ni']['value']) + ",InT_s=" + "{" +
+                    str(self.variables['InT_s']['value']).strip('[').strip(']') + "}" + ',Ctype ="' +
+                    self.variables['Ctype']['value'] + '");\n')
+        return self.OM_data_init
+
+    def OM_Flowsheet_Equation(self):
+        self.OM_data_eqn = ''
+        self.OM_data_eqn = self.OM_data_eqn + (
+                'connect(' + self.name + '.Dist' + ", " + self.output_stms[1].name + '.In);\n')
+        self.OM_data_eqn = self.OM_data_eqn + (
+                'connect(' + self.name + '.Bot' + ", " + self.output_stms[2].name + '.In);\n')
+        for i in range(len(self.input_stms)):
+            self.OM_data_eqn = self.OM_data_eqn + (
+                    'connect(' + self.input_stms[i +1].name + '.Out' + ", " + self.name + '.In_s[' + str(
+                i + 1) + ']);\n')
+        # ['Product Molar Flow   (mol/s)', 'Temperature  (K)', 'Compound Molar Fraction',
+        #  'Compound Molar Flow    (mol/s)']
+        if self.variables['C_Spec']['type'] == "Reflux Ratio":
+            self.OM_data_eqn = self.OM_data_eqn + (
+                        self.name + '.' + 'RR' + '=' + str(self.variables['RR']['value']) + ';\n')
+        elif self.variables['C_Spec']['type'] == "Product Molar Flow   (mol/s)":
+            self.OM_data_eqn = self.OM_data_eqn + (self.output_stms[1].name + '.' + 'F_p[1] = ' + str(
+                self.variables['C_Spec']['value']) + ';\n')
+        elif self.variables['C_Spec']['type'] == "Temperature  (K)":
+            self.OM_data_eqn = self.OM_data_eqn + (self.output_stms[1].name + '.' + 'T = ' + str(
+                self.variables['C_Spec']['value']) + ';\n')
+        elif self.variables['C_Spec']['type'] == "Compound Molar Fraction":
+            self.OM_data_eqn = self.OM_data_eqn + (self.output_stms[1].name + '.x_pc[1,:' +
+                               str(self.compounds.index(self.variables['C_Spec']['comp']) + 1) + '] = ' + str(
+                               self.variables['C_Spec']['value']) + ';\n')
+        elif self.variables['C_Spec']['type'] == "Compound Molar Flow    (mol/s)":
+            self.OM_data_eqn = self.OM_data_eqn + (self.output_stms[1].name + '.F_pc[1,:' +
+                               str(self.compounds.index(self.variables['C_Spec']['comp']) + 1) + '] = ' + str(
+                               self.variables['C_Spec']['value']) + ';\n')
+        else:
+            self.OM_data_eqn = self.OM_data_eqn + (
+                    self.name + '.Condenser.' + self.mode + '=' + str(self.modeVal) + ';\n')
+
+        if self.variables['R_Spec']['type'] == "Product Molar Flow   (mol/s)":
+            self.OM_data_eqn = self.OM_data_eqn + (self.output_stms[2].name + '.' + 'F_p[1] = ' + str(
+                               self.variables['R_Spec']['value']) + ';\n')
+        elif self.variables['R_Spec']['type'] == "Temperature  (K)":
+            self.OM_data_eqn = self.OM_data_eqn + (self.output_stms[2].name + '.' + 'T = ' + str(
+                               self.variables['R_Spec']['value']) + ';\n')
+        elif self.variables['R_Spec']['type'] == "Compound Molar Fraction":
+            self.OM_data_eqn = self.OM_data_eqn + (self.output_stms[2].name + '.x_pc[1,:' +
+                               str(self.compounds.index(self.variables['R_Spec']['comp']) + 1) + '] = ' + str(
+                               self.variables['R_Spec']['value']) + ';\n')
+        elif self.variables['R_Spec']['type'] == "Compound Molar Flow    (mol/s)":
+            self.OM_data_eqn = self.OM_data_eqn + (self.output_stms[2].name + '.F_pc[1,:' +
+                               str(self.compounds.index(self.variables['R_Spec']['comp']) + 1) + '] = ' + str(
+                               self.variables['R_Spec']['value']) + ';\n')
+
+
+        self.OM_data_eqn = self.OM_data_eqn + self.name + '.reboiler.P=' + str(
+            self.variables['Preb']['value']) + ';\n'
+        self.OM_data_eqn = self.OM_data_eqn + self.name + '.condenser.P=' + str(
+            self.variables['Pcond']['value']) + ';\n'
+        return self.OM_data_eqn
+        
+class ConvertionReactor(UnitOperation):
+    def __init__(self,name='',Nr=None,b=None,X=None,Z=None,a=[],operation=None,Tdef=None):
+        UnitOperation.__init__(self)
+        self.name = name
+        self.type = 'ConvertionReactor'
+
+        self.Nr = str(Nr)
+        self.b = str(b)
+        self.X = str(X)
+        self.Z = str(Z)
+        self.a = json.dumps(a).replace('[','{').replace(']','}')
+        self.operation = str(operation)   
+        self.Tdef = str(Tdef)
+           
+class CompoundSeparator(UnitOperation):
+    def __init__(self, name='CompoundSeparator'): 
+        UnitOperation.__init__(self)
+        self.name = name + str(CompoundSeparator.counter) 
+        self.type = 'CompoundSeparator'
+        self.no_of_inputs = 1 
+        self.no_of_outputs = 2 
+
+        self.SepFact_modes = ['Molar_Flow   (mol/s)', 'Mass_Flow   (g/s)', 'Inlet_Molar_Flow_Percent', 'Outlet_Molar_Flow_Percent']
+
+        type(self).counter += 1  
+        self.variables = {
+            'SepStrm'   : {'name':'Separation Stream',      'value':1,              'unit':''}, 
+            'SepVal_c'    : {'name':'Separation Value',       'value':['']*len(self.compounds),             'unit':''},
+            'SepFact_c'   : {'name':'Separaction Factor',     'value':['']*len(self.compounds),             'unit':''},
+        }
+        
+    def init_variables(self):
+        self.variables = {
+            'SepStrm'   : {'name':'Separation Stream',      'value':1,              'unit':''}, 
+            'SepVal_c'    : {'name':'Separation Value',       'value':['']*len(self.compounds),             'unit':''},
+            'SepFact_c'   : {'name':'Separaction Factor',     'value':['']*len(self.compounds),             'unit':''},
+        }
+    def update_compounds(self):
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
+
+    def param_setter(self,params):
+        #print("param_setter CompSep ", params)
+      
+        if (params[0]):
+            self.variables['SepStrm']['value'] = 1
+        else:
+            self.variables['SepStrm']['value'] = 2
+        for index, i in enumerate(range(2, len(params))):
+            if (i %2 != 0):
+                self.variables['SepVal_c']['value'][index//2] = float(params[i])
+            else:
+                self.variables['SepFact_c']['value'][index//2] = params[i]
+
+    def OM_Flowsheet_Initialize(self):
+        SepStrm = str(self.variables['SepStrm']['value'])
+        SepFact = []
+        for i in range(len(self.compounds)):
+            SepFact.append(self.variables['SepFact_c']['value'][i].split(' ')[0])
+        SepFact  = json.dumps(SepFact).replace('[', '{').replace(']', '}')
+        self.OM_data_init = ''
+        comp_count = len(self.compounds)
+        self.OM_data_init = self.OM_data_init + (
+        "Simulator.UnitOperations.CompoundSeparator " + self.name + "(Nc = " + str(comp_count))
+        self.OM_data_init = self.OM_data_init + (", C = {")
+        comp = str(self.compounds).strip('[').strip(']')
+        comp = comp.replace("'", "")
+        self.OM_data_init = self.OM_data_init + comp + ("},")
+        self.OM_data_init = self.OM_data_init + ("SepFact_c = " + SepFact + ",SepStrm = " + SepStrm + ");\n")
+
+        return self.OM_data_init
+
+
+    def OM_Flowsheet_Equation(self):
+        SepVal = json.dumps(self.variables['SepVal_c']['value']).replace('[','{').replace(']','}')
+        self.OM_data_eqn = ''
+       
+        self.OM_data_eqn += ('connect(' + self.name + '.In,' + self.input_stms[1].name + '.Out);\n')
+
+        strcount = 1
+        for strm in self.output_stms.values():
+            self.OM_data_eqn += ('connect(' + strm.name + '.In,' + self.name + '.Out' + str(strcount) + ');\n')
+            strcount += 1
+        
+        self.OM_data_eqn += (self.name + '.SepVal_c ' + '=' + SepVal + ';\n')
+
+        return self.OM_data_eqn
+
+class Flash(UnitOperation):
+    def __init__(self,name='Flash'):
+        UnitOperation.__init__(self)
+        self.name = name + str(Flash.counter) 
+        self.type = 'Flash'
+        self.extra = ['Flash']
+        self.for_naming = ['Flash']
+        self.no_of_inputs = 1 
+        self.no_of_outputs = 2
+        self.count = Flash.counter
+        self.thermo_pack_req = True
+        self.parameters = ['BTdef', 'Tdef', 'BPdef', 'Pdef']
+
+        type(self).counter += 1 
+        self.variables = {
+            'thermo_package' :   {'name':'Thermo Package',                   'value':None,       'unit':''},
+            'BTdef' :           {'name':'Separation Temperature Boolean',   'value':False,      'unit':''},
+            'BPdef' :           {'name':'Separation Pressure Boolean',      'value':False,      'unit':''},
+            'Tdef'  :           {'name':'Separation Temperature',           'value':298.15,     'unit':'K'},
+            'Pdef'  :           {'name':'Separation Pressure',              'value':101325,     'unit':'Pa'}
+        }
+
+    def update_compounds(self):
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
+
+    def param_setter(self,params):
+        #print("param_setter ", params)
+        self.variables['thermo_package']['value'] = params[0]
+        self.variables['BTdef']['value'] = params[1]
+        self.variables['Tdef']['value'] = params[2]
+        self.variables['BPdef']['value'] = params[3]
+        self.variables['Pdef']['value'] = params[4]        
+
+    def OM_Flowsheet_Equation(self):
+        self.OM_data_eqn = ''
+
+        self.OM_data_eqn += ('connect(' + self.name + '.In,' + self.input_stms[1].name + '.Out);\n')
+
+        strcount = 1
+        for strm in self.output_stms.values():
+            self.OM_data_eqn += ('connect(' + strm.name + '.In,' + self.name + '.Out' + str(strcount) + ');\n')
+            strcount += 1
+
+        return self.OM_data_eqn
+
+class CentrifugalPump(UnitOperation):
+    def __init__(self,name='CentrifugalPump'):
+        UnitOperation.__init__(self)
+        self.name = name + str(CentrifugalPump.counter)
+        self.type = 'CentrifugalPump'
+        self.modes_list = ['Pdel', 'Pout', 'Q']     #"enFlo"
+        self.parameters = ['Eff']
+
+        type(self).counter += 1 
+        self.variables = {
+            'Eff'   : {'name':'Efficiency',         'value':1,      'unit':''},
+            'Pdel'  : {'name':'Pressure Increase',  'value':None,   'unit':'Pa'},
+            'Pout'  : {'name':'Outlet Pressure',    'value':None,   'unit':'Pa'},
+            'Q'     : {'name':'Power Required',     'value':None,   'unit':'W'},
+        }
+
+class Valve(UnitOperation):
+    def __init__(self,name='Valve'):
+        UnitOperation.__init__(self)
+        self.name = name + str(Valve.counter)
+        self.type = 'Valve'
+        self.modes_list = ['Pdel', 'Pout']
+
+        type(self).counter += 1 
+        self.variables = {
+            'Pdel'  : {'name':'Pressure Drop',      'value':None,   'unit':'Pa'},
+            'Pout'  : {'name':'Outlet Pressure',    'value':None,   'unit':'Pa'}
+        }
+
+class Splitter(UnitOperation):
+    def __init__(self,name='Splitter'):
+        UnitOperation.__init__(self)
+        self.name = name + str(Splitter.counter) 
+        self.type = 'Splitter'
+        self.no_of_outputs = 2
+        
+        self.CalcType_modes = ['Split_Ratio', 'Molar_Flow', 'Mass_Flow']
+
+        self.parameters = ['No', 'CalcType', 'SpecVal_s']
+        type(self).counter += 1 
+
+        self.variables = {
+            'No'       : {'name':'No. of Output',          'value':2,                          'unit':''},
+            'CalcType'  : {'name':'Calculation Type',       'value':self.CalcType_modes[0],     'unit':''},
+            'SpecVal_s' : {'name':'Specification Value',    'value':[0.5,0.5],                    'unit':''}
+        }
+        
+        specval = self.variables['SpecVal_s']['value'] 
+        self.specval = json.dumps(specval).replace('[','{').replace(']','}')
+
+    def update_compounds(self):
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
+
+    def param_setter(self,params):
+        #print("param_setter ", params)
+        self.variables['No']['value'] = int(params[0])
+        self.variables['CalcType']['value'] = params[1]
+        self.variables['SpecVal_s']['value'] = [float(params[2]), float(params[3])]
+        if self.variables['CalcType']['value'] == 'Molar_Flow':
+            self.variables['SpecVal_s']['unit'] = 'mol/s'
+        elif self.variables['CalcType']['value'] == 'Mass_Flow':
+            self.variables['SpecVal_s']['unit'] = 'g/s'
+        else:
+            self.variables['SpecVal_s']['unit'] = ''
+
+class Mixer(UnitOperation):
+
+    def __init__(self,name='Mixer'):
+        UnitOperation.__init__(self)
+        self.name = name + str(Mixer.counter) 
+        self.type = 'Mixer'
+        self.no_of_inputs = 2
+
+        self.Pout_modes = ['Inlet_Minimum', 'Inlet_Average', 'Inlet_Maximum']
+        self.parameters = ['NI', 'outPress']
+        type(self).counter += 1 
+
+        self.variables = {
+            'NI'        : {'name':'Number of Input', 'value':6,                 'unit':''},
+            'outPress'  : {'name':'Outlet Pressure', 'value':'Inlet_Average',   'unit':''},
+        }
+
+    def update_compounds(self):
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
+
+    def param_setter(self, params):
+        self.variables['NI']['value'] = int(params[0])
+        self.variables['outPress']['value'] = params[1]
+        
+class Heater(UnitOperation):
+
+    def __init__(self, name='Heater'):
+        UnitOperation.__init__(self)
+        self.name = name + str(type(self).counter)
+        self.type = 'Heater'
+        self.no_of_inputs = 1
+        self.no_of_outputs = 1
+        self.modes_list = ['Q','Tout','xvapout','Tdel']
+        self.parameters = ['Pdel', 'Eff'] 
+        self.extra = None
+        self.for_naming = None
+        type(self).counter += 1
+
+        self.variables = {
+            'Pdel'  : {'name':'Pressure Drop',          'value':0,       'unit':'Pa'},
+            'Eff'   : {'name':'Efficiency',             'value':1,       'unit':''},
+            'Tout'  : {'name':'Outlet Temperature',     'value':298.15,  'unit':'K'},
+            'Tdel'  : {'name':'Temperature Increase',   'value':0,       'unit':'K'},
+            'Q'     : {'name':'Heat Added',             'value':0,       'unit':'W'},
+            'xvapout':  {'name':'Outlet Vapour',        'value':None,    'unit':''}
+        }
+
+class Cooler(UnitOperation):
+
+    def __init__(self, name='Cooler'):
+        UnitOperation.__init__(self)
+        self.name = name + str(type(self).counter)
+        self.type = 'Cooler'
+        self.no_of_inputs = 1
+        self.no_of_outputs = 1
+        self.modes_list = ['Q','Tout','Tdel','xvap']
+        self.extra = None
+        self.for_naming = None
+        self.parameters = ['Pdel', 'Eff']
+        type(self).counter += 1
+
+        self.variables = {
+            'Pdel'  : {'name':'Pressure Drop',              'value':0,          'unit':'Pa'},
+            'Eff'   : {'name':'Efficiency',                 'value':1,          'unit':''},
+            'Tout'  : {'name':'Outlet Temperature',         'value':298.15,     'unit':'K'},
+            'Tdel'  : {'name':'Temperature Increase',       'value':0,          'unit':'K'},
+            'Q'     : {'name':'Heat Added',                 'value':0,          'unit':'W'},
+            'xvap'  : {'name':'Vapour Phase Mole Fraction', 'value':None,       'unit':'g/s'},
+        }
+
+class AdiabaticCompressor(UnitOperation):
+
+    def __init__(self, name='AdiabaticCompressor'):
+        UnitOperation.__init__(self)
+        self.name = name + str(type(self).counter)
+        self.type = 'AdiabaticCompressor'
+        self.no_of_inputs = 1
+        self.no_of_outputs = 1
+        self.modes_list = ["Pdel","Pout","Q"]
+        self.extra = ['AdiabaticCompressor']
+        self.for_naming = ['AdiabaticCompressor']
+        self.thermo_pack_req = True
+        self.thermo_package ="RaoultsLaw" 
+        self.parameters = ['Eff']
+        type(self).counter += 1
+        self.variables = {
+            'Pdel'  : {'name':'Pressure Increase',          'value':0,       'unit':'Pa'},
+            'Tdel'  : {'name':'Temperature Increase',   'value':0,       'unit':'K'},
+            'Pout'  : {'name':'Outlet Pressure',        'value':101325,  'unit':'Pa'},
+            'Tout'  : {'name':'Outlet Temperature',     'value':298.15,  'unit':'K'},
+            'Q'     : {'name':'Heat Added',             'value':0,       'unit':'W'},
+            'Eff'   : {'name':'Efficiency',             'value':1,       'unit':''}
+        }
+
+    def update_compounds(self):
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
+
+class AdiabaticExpander(UnitOperation):
+
+    def __init__(self, name='AdiabaticExpander'):
+        UnitOperation.__init__(self)
+        self.name = name + str(type(self).counter)
+        self.type = 'AdiabaticExpander'
+        self.no_of_inputs = 1
+        self.no_of_outputs = 1
+        self.modes_list = ["Pdel","Pout","Q"]
+        self.extra = ['AdiabaticExpander']
+        self.for_naming = ['AdiabaticExpander']
+        self.thermo_pack_req = True
+        self.thermo_package ="RaoultsLaw"
+        self.parameters = ['Eff']
+        type(self).counter += 1
+        self.variables = {
+            'Pdel'  : {'name':'Pressure Drop',          'value':0,       'unit':'Pa'},
+            'Tdel'  : {'name':'Temperature Increase',   'value':0,       'unit':'K'},
+            'Pout'  : {'name':'Outlet Pressure',        'value':101325,  'unit':'Pa'},
+            'Tout'  : {'name':'Outlet Temperature',     'value':298.15,  'unit':'K'},
+            'Q'     : {'name':'Heat Added',             'value':0,       'unit':'W'},
+            'Eff'   : {'name':'Efficiency',             'value':1,       'unit':''}
+        }
+
+    def update_compounds(self):
+        self.compounds = [c[:c.index('(')] for c in compound_selected]
\ No newline at end of file
diff --git a/src/main/python/utils/__init__.py b/src/main/python/utils/__init__.py
new file mode 100644
index 0000000..e69de29
--- /dev/null
+++ b/src/main/python/utils/__init__.py
diff --git a/src/main/python/utils/__pycache__/Bin_Phase_env.cpython-37.pyc b/src/main/python/utils/__pycache__/Bin_Phase_env.cpython-37.pyc
new file mode 100644
index 0000000..35c4753
--- /dev/null
+++ b/src/main/python/utils/__pycache__/Bin_Phase_env.cpython-37.pyc
diff --git a/src/main/python/utils/__pycache__/ComponentSelector.cpython-37.pyc b/src/main/python/utils/__pycache__/ComponentSelector.cpython-37.pyc
new file mode 100644
index 0000000..b6bceec
--- /dev/null
+++ b/src/main/python/utils/__pycache__/ComponentSelector.cpython-37.pyc
diff --git a/src/main/python/utils/__pycache__/Container.cpython-37.pyc b/src/main/python/utils/__pycache__/Container.cpython-37.pyc
new file mode 100644
index 0000000..98797d2
--- /dev/null
+++ b/src/main/python/utils/__pycache__/Container.cpython-37.pyc
diff --git a/src/main/python/utils/__pycache__/Graphics.cpython-37.pyc b/src/main/python/utils/__pycache__/Graphics.cpython-37.pyc
new file mode 100644
index 0000000..7426c2f
--- /dev/null
+++ b/src/main/python/utils/__pycache__/Graphics.cpython-37.pyc
diff --git a/src/main/python/utils/__pycache__/Streams.cpython-37.pyc b/src/main/python/utils/__pycache__/Streams.cpython-37.pyc
new file mode 100644
index 0000000..18287f2
--- /dev/null
+++ b/src/main/python/utils/__pycache__/Streams.cpython-37.pyc
diff --git a/src/main/python/utils/__pycache__/UnitOperations.cpython-37.pyc b/src/main/python/utils/__pycache__/UnitOperations.cpython-37.pyc
new file mode 100644
index 0000000..ac4d056
--- /dev/null
+++ b/src/main/python/utils/__pycache__/UnitOperations.cpython-37.pyc
diff --git a/src/main/python/utils/__pycache__/__init__.cpython-37.pyc b/src/main/python/utils/__pycache__/__init__.cpython-37.pyc
new file mode 100644
index 0000000..a687f51
--- /dev/null
+++ b/src/main/python/utils/__pycache__/__init__.cpython-37.pyc
diff --git a/src/main/python/utils/thermopackage.txt b/src/main/python/utils/thermopackage.txt
new file mode 100644
index 0000000..f9155f5
--- /dev/null
+++ b/src/main/python/utils/thermopackage.txt
@@ -0,0 +1,6 @@
+RaoultsLaw
+NRTL
+UNIQUAC
+UNIFAC
+PengRobinson
+GraysonStreed
\ No newline at end of file
diff --git a/src/main/resources/base/icons/AdiabaticCompressor.png b/src/main/resources/base/icons/AdiabaticCompressor.png
new file mode 100644
index 0000000..1fd7bb0
--- /dev/null
+++ b/src/main/resources/base/icons/AdiabaticCompressor.png
diff --git a/src/main/resources/base/icons/AdiabaticExpander.png b/src/main/resources/base/icons/AdiabaticExpander.png
new file mode 100644
index 0000000..615a638
--- /dev/null
+++ b/src/main/resources/base/icons/AdiabaticExpander.png
diff --git a/src/main/resources/base/icons/CentrifugalPump.png b/src/main/resources/base/icons/CentrifugalPump.png
new file mode 100644
index 0000000..a2d3e8e
--- /dev/null
+++ b/src/main/resources/base/icons/CentrifugalPump.png
diff --git a/src/main/resources/base/icons/Column.png b/src/main/resources/base/icons/Column.png
new file mode 100644
index 0000000..84c0bcc
--- /dev/null
+++ b/src/main/resources/base/icons/Column.png
diff --git a/src/main/resources/base/icons/CompoundSeparator.png b/src/main/resources/base/icons/CompoundSeparator.png
new file mode 100644
index 0000000..3435dcf
--- /dev/null
+++ b/src/main/resources/base/icons/CompoundSeparator.png
diff --git a/src/main/resources/base/icons/Cooler.png b/src/main/resources/base/icons/Cooler.png
new file mode 100644
index 0000000..4dcb802
--- /dev/null
+++ b/src/main/resources/base/icons/Cooler.png
diff --git a/src/main/resources/base/icons/DistillationColumn.png b/src/main/resources/base/icons/DistillationColumn.png
new file mode 100644
index 0000000..f65150b
--- /dev/null
+++ b/src/main/resources/base/icons/DistillationColumn.png
diff --git a/src/main/resources/base/icons/Flash.png b/src/main/resources/base/icons/Flash.png
new file mode 100644
index 0000000..9a84def
--- /dev/null
+++ b/src/main/resources/base/icons/Flash.png
diff --git a/src/main/resources/base/icons/Heater.png b/src/main/resources/base/icons/Heater.png
new file mode 100644
index 0000000..52b8c00
--- /dev/null
+++ b/src/main/resources/base/icons/Heater.png
diff --git a/src/main/resources/base/icons/MaterialStream.png b/src/main/resources/base/icons/MaterialStream.png
new file mode 100644
index 0000000..b548d3f
--- /dev/null
+++ b/src/main/resources/base/icons/MaterialStream.png
diff --git a/src/main/resources/base/icons/Mixer.png b/src/main/resources/base/icons/Mixer.png
new file mode 100644
index 0000000..6656945
--- /dev/null
+++ b/src/main/resources/base/icons/Mixer.png
diff --git a/src/main/resources/base/icons/ShortcutColumn.png b/src/main/resources/base/icons/ShortcutColumn.png
new file mode 100644
index 0000000..f65150b
--- /dev/null
+++ b/src/main/resources/base/icons/ShortcutColumn.png
diff --git a/src/main/resources/base/icons/Splitter.png b/src/main/resources/base/icons/Splitter.png
new file mode 100644
index 0000000..778bcda
--- /dev/null
+++ b/src/main/resources/base/icons/Splitter.png
diff --git a/src/main/resources/base/icons/Valve.png b/src/main/resources/base/icons/Valve.png
new file mode 100644
index 0000000..3cfd5c4
--- /dev/null
+++ b/src/main/resources/base/icons/Valve.png
diff --git a/src/main/resources/base/icons/bpe.png b/src/main/resources/base/icons/bpe.png
new file mode 100644
index 0000000..000730a
--- /dev/null
+++ b/src/main/resources/base/icons/bpe.png
diff --git a/src/main/resources/base/icons/compound.png b/src/main/resources/base/icons/compound.png
new file mode 100644
index 0000000..a9c946d
--- /dev/null
+++ b/src/main/resources/base/icons/compound.png
diff --git a/src/main/resources/base/icons/eq.png b/src/main/resources/base/icons/eq.png
new file mode 100644
index 0000000..cb0485a
--- /dev/null
+++ b/src/main/resources/base/icons/eq.png
diff --git a/src/main/resources/base/icons/help.png b/src/main/resources/base/icons/help.png
new file mode 100644
index 0000000..785ca95
--- /dev/null
+++ b/src/main/resources/base/icons/help.png
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new file mode 100644
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diff --git a/src/main/resources/base/icons/images.png b/src/main/resources/base/icons/images.png
new file mode 100644
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diff --git a/src/main/resources/base/icons/logo.ico b/src/main/resources/base/icons/logo.ico
new file mode 100644
index 0000000..e1c2e78
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diff --git a/src/main/resources/base/icons/logo.png b/src/main/resources/base/icons/logo.png
new file mode 100644
index 0000000..60d94d8
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diff --git a/src/main/resources/base/icons/open.png b/src/main/resources/base/icons/open.png
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diff --git a/src/main/resources/base/icons/redo.png b/src/main/resources/base/icons/redo.png
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diff --git a/src/main/resources/base/icons/save.png b/src/main/resources/base/icons/save.png
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diff --git a/src/main/resources/base/icons/simulating.png b/src/main/resources/base/icons/simulating.png
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new file mode 100644
index 0000000..d6906b8
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diff --git a/src/main/resources/base/icons/zoo.png b/src/main/resources/base/icons/zoo.png
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index 0000000..1de4314
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diff --git a/src/main/resources/base/icons/zoom_reset.png b/src/main/resources/base/icons/zoom_reset.png
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diff --git a/src/main/ui/DockWidgets/DistillationColumnStagewiseResults.ui b/src/main/ui/DockWidgets/DistillationColumnStagewiseResults.ui
new file mode 100644
index 0000000..fb0ef9c
--- /dev/null
+++ b/src/main/ui/DockWidgets/DistillationColumnStagewiseResults.ui
@@ -0,0 +1,68 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>DistillationColumnStagewiseResults</class>
+ <widget class="QWidget" name="DistillationColumnStagewiseResults">
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>594</width>
+    <height>411</height>
+   </rect>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <widget class="QTabWidget" name="tabWidget">
+   <property name="geometry">
+    <rect>
+     <x>-1</x>
+     <y>-1</y>
+     <width>591</width>
+     <height>411</height>
+    </rect>
+   </property>
+   <property name="currentIndex">
+    <number>0</number>
+   </property>
+   <widget class="QWidget" name="T">
+    <attribute name="title">
+     <string>Temperature(K)</string>
+    </attribute>
+    <widget class="QTableWidget" name="T_table">
+     <property name="geometry">
+      <rect>
+       <x>0</x>
+       <y>0</y>
+       <width>591</width>
+       <height>391</height>
+      </rect>
+     </property>
+     <property name="sizeAdjustPolicy">
+      <enum>QAbstractScrollArea::AdjustToContents</enum>
+     </property>
+    </widget>
+   </widget>
+   <widget class="QWidget" name="x_pc">
+    <attribute name="title">
+     <string>Component Mole Fractions</string>
+    </attribute>
+    <widget class="QTableWidget" name="x_pc_table">
+     <property name="geometry">
+      <rect>
+       <x>0</x>
+       <y>0</y>
+       <width>591</width>
+       <height>391</height>
+      </rect>
+     </property>
+     <property name="sizeAdjustPolicy">
+      <enum>QAbstractScrollArea::AdjustToContentsOnFirstShow</enum>
+     </property>
+    </widget>
+   </widget>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/DockWidgets/DockWidget.ui b/src/main/ui/DockWidgets/DockWidget.ui
new file mode 100644
index 0000000..ba6dc52
--- /dev/null
+++ b/src/main/ui/DockWidgets/DockWidget.ui
@@ -0,0 +1,169 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+  <property name="enabled">
+   <bool>true</bool>
+  </property>
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>392</width>
+    <height>700</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="maximumSize">
+   <size>
+    <width>3200</width>
+    <height>5000</height>
+   </size>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <property name="autoFillBackground">
+   <bool>false</bool>
+  </property>
+  <widget class="QTabWidget" name="tabWidget">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>30</y>
+     <width>361</width>
+     <height>621</height>
+    </rect>
+   </property>
+   <property name="autoFillBackground">
+    <bool>false</bool>
+   </property>
+   <property name="currentIndex">
+    <number>0</number>
+   </property>
+   <widget class="QWidget" name="tab">
+    <attribute name="title">
+     <string>Input Data</string>
+    </attribute>
+    <widget class="QGroupBox" name="groupBox">
+     <property name="geometry">
+      <rect>
+       <x>9</x>
+       <y>9</y>
+       <width>331</width>
+       <height>71</height>
+      </rect>
+     </property>
+     <property name="title">
+      <string>Mode Selection</string>
+     </property>
+     <layout class="QHBoxLayout" name="horizontalLayout_2">
+      <item>
+       <layout class="QHBoxLayout" name="horizontalLayout">
+        <item>
+         <widget class="QLabel" name="label">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="text">
+           <string>Mode : </string>
+          </property>
+         </widget>
+        </item>
+        <item>
+         <widget class="QComboBox" name="comboBox">
+          <property name="enabled">
+           <bool>true</bool>
+          </property>
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+       </layout>
+      </item>
+     </layout>
+    </widget>
+    <widget class="QGroupBox" name="groupBox_2">
+     <property name="geometry">
+      <rect>
+       <x>10</x>
+       <y>100</y>
+       <width>331</width>
+       <height>271</height>
+      </rect>
+     </property>
+     <property name="title">
+      <string>Parameter Selection</string>
+     </property>
+     <layout class="QVBoxLayout" name="verticalLayout">
+      <item>
+       <layout class="QFormLayout" name="formLayout"/>
+      </item>
+     </layout>
+    </widget>
+    <widget class="QPushButton" name="pushButton_2">
+     <property name="geometry">
+      <rect>
+       <x>10</x>
+       <y>380</y>
+       <width>331</width>
+       <height>21</height>
+      </rect>
+     </property>
+     <property name="text">
+      <string>Submit</string>
+     </property>
+    </widget>
+   </widget>
+   <widget class="QWidget" name="tab_2">
+    <attribute name="title">
+     <string>Results</string>
+    </attribute>
+    <layout class="QHBoxLayout" name="horizontalLayout_3">
+     <item>
+      <widget class="QTableWidget" name="tableWidget">
+       <property name="columnCount">
+        <number>3</number>
+       </property>
+       <attribute name="horizontalHeaderDefaultSectionSize">
+        <number>110</number>
+       </attribute>
+       <attribute name="horizontalHeaderStretchLastSection">
+        <bool>true</bool>
+       </attribute>
+       <column>
+        <property name="text">
+         <string>Attribute</string>
+        </property>
+       </column>
+       <column>
+        <property name="text">
+         <string>Value</string>
+        </property>
+       </column>
+       <column>
+        <property name="text">
+         <string>Unit</string>
+        </property>
+       </column>
+      </widget>
+     </item>
+    </layout>
+   </widget>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/DockWidgets/DockWidgetCompoundSeparator.ui b/src/main/ui/DockWidgets/DockWidgetCompoundSeparator.ui
new file mode 100644
index 0000000..ad9cda4
--- /dev/null
+++ b/src/main/ui/DockWidgets/DockWidgetCompoundSeparator.ui
@@ -0,0 +1,45 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>form</class>
+ <widget class="QWidget" name="form">
+  <property name="enabled">
+   <bool>true</bool>
+  </property>
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>392</width>
+    <height>700</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="maximumSize">
+   <size>
+    <width>3200</width>
+    <height>5000</height>
+   </size>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <widget class="QWidget" name="gridLayoutWidget">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>40</y>
+     <width>331</width>
+     <height>281</height>
+    </rect>
+   </property>
+   <layout class="QGridLayout" name="gridLayout"/>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/DockWidgets/DockWidgetCompressorExpander.ui b/src/main/ui/DockWidgets/DockWidgetCompressorExpander.ui
new file mode 100644
index 0000000..372fc0b
--- /dev/null
+++ b/src/main/ui/DockWidgets/DockWidgetCompressorExpander.ui
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+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+  <property name="enabled">
+   <bool>true</bool>
+  </property>
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>392</width>
+    <height>700</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="maximumSize">
+   <size>
+    <width>3200</width>
+    <height>5000</height>
+   </size>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <property name="autoFillBackground">
+   <bool>false</bool>
+  </property>
+  <widget class="QTabWidget" name="tabWidget">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>30</y>
+     <width>361</width>
+     <height>621</height>
+    </rect>
+   </property>
+   <property name="autoFillBackground">
+    <bool>false</bool>
+   </property>
+   <property name="currentIndex">
+    <number>0</number>
+   </property>
+   <widget class="QWidget" name="tab">
+    <attribute name="title">
+     <string>Input Data</string>
+    </attribute>
+    <widget class="QGroupBox" name="groupBox">
+     <property name="geometry">
+      <rect>
+       <x>9</x>
+       <y>9</y>
+       <width>331</width>
+       <height>71</height>
+      </rect>
+     </property>
+     <property name="title">
+      <string>Mode Selection</string>
+     </property>
+     <layout class="QHBoxLayout" name="horizontalLayout_2">
+      <item>
+       <layout class="QHBoxLayout" name="horizontalLayout">
+        <item>
+         <widget class="QLabel" name="label">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="text">
+           <string>Mode : </string>
+          </property>
+         </widget>
+        </item>
+        <item>
+         <widget class="QComboBox" name="comboBox">
+          <property name="enabled">
+           <bool>true</bool>
+          </property>
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+       </layout>
+      </item>
+     </layout>
+    </widget>
+    <widget class="QGroupBox" name="groupBox_2">
+     <property name="geometry">
+      <rect>
+       <x>10</x>
+       <y>100</y>
+       <width>331</width>
+       <height>111</height>
+      </rect>
+     </property>
+     <property name="title">
+      <string>Parameter Selection</string>
+     </property>
+     <layout class="QVBoxLayout" name="verticalLayout">
+      <item>
+       <layout class="QFormLayout" name="formLayout"/>
+      </item>
+     </layout>
+    </widget>
+    <widget class="QPushButton" name="pushButton_2">
+     <property name="geometry">
+      <rect>
+       <x>10</x>
+       <y>280</y>
+       <width>331</width>
+       <height>21</height>
+      </rect>
+     </property>
+     <property name="text">
+      <string>Submit</string>
+     </property>
+    </widget>
+    <widget class="QGroupBox" name="groupBox_3">
+     <property name="geometry">
+      <rect>
+       <x>10</x>
+       <y>220</y>
+       <width>331</width>
+       <height>51</height>
+      </rect>
+     </property>
+     <property name="title">
+      <string/>
+     </property>
+     <layout class="QHBoxLayout" name="horizontalLayout_10">
+      <item>
+       <layout class="QHBoxLayout" name="horizontalLayout_11">
+        <item>
+         <widget class="QLabel" name="label_2">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="text">
+           <string>Thermo Package</string>
+          </property>
+         </widget>
+        </item>
+        <item>
+         <widget class="QComboBox" name="cbTP">
+          <property name="enabled">
+           <bool>true</bool>
+          </property>
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+       </layout>
+      </item>
+     </layout>
+    </widget>
+   </widget>
+   <widget class="QWidget" name="tab_2">
+    <attribute name="title">
+     <string>Results</string>
+    </attribute>
+    <layout class="QHBoxLayout" name="horizontalLayout_3">
+     <item>
+      <widget class="QTableWidget" name="tableWidget">
+       <property name="columnCount">
+        <number>3</number>
+       </property>
+       <attribute name="horizontalHeaderDefaultSectionSize">
+        <number>110</number>
+       </attribute>
+       <attribute name="horizontalHeaderStretchLastSection">
+        <bool>true</bool>
+       </attribute>
+       <column>
+        <property name="text">
+         <string>Attribute</string>
+        </property>
+       </column>
+       <column>
+        <property name="text">
+         <string>Value</string>
+        </property>
+       </column>
+       <column>
+        <property name="text">
+         <string>Unit</string>
+        </property>
+       </column>
+      </widget>
+     </item>
+    </layout>
+   </widget>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/DockWidgets/DockWidgetDistillationColumn.ui b/src/main/ui/DockWidgets/DockWidgetDistillationColumn.ui
new file mode 100644
index 0000000..83a6204
--- /dev/null
+++ b/src/main/ui/DockWidgets/DockWidgetDistillationColumn.ui
@@ -0,0 +1,323 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+  <property name="enabled">
+   <bool>true</bool>
+  </property>
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>382</width>
+    <height>700</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="maximumSize">
+   <size>
+    <width>3200</width>
+    <height>5000</height>
+   </size>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <widget class="QTabWidget" name="tabWidget">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>30</y>
+     <width>351</width>
+     <height>481</height>
+    </rect>
+   </property>
+   <property name="autoFillBackground">
+    <bool>true</bool>
+   </property>
+   <property name="currentIndex">
+    <number>1</number>
+   </property>
+   <widget class="QWidget" name="tab">
+    <attribute name="title">
+     <string>Input Data</string>
+    </attribute>
+    <layout class="QVBoxLayout" name="verticalLayout_2">
+     <item>
+      <widget class="QGroupBox" name="groupBox_2">
+       <property name="title">
+        <string>Parameter Selection</string>
+       </property>
+       <layout class="QVBoxLayout" name="verticalLayout">
+        <property name="sizeConstraint">
+         <enum>QLayout::SetFixedSize</enum>
+        </property>
+        <item>
+         <widget class="QTabWidget" name="tabWidget_5">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Expanding" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="currentIndex">
+           <number>2</number>
+          </property>
+          <widget class="QWidget" name="tab1">
+           <attribute name="title">
+            <string>General</string>
+           </attribute>
+           <layout class="QVBoxLayout" name="verticalLayout_6">
+            <item>
+             <layout class="QGridLayout" name="lay1">
+              <property name="sizeConstraint">
+               <enum>QLayout::SetDefaultConstraint</enum>
+              </property>
+              <property name="verticalSpacing">
+               <number>0</number>
+              </property>
+             </layout>
+            </item>
+           </layout>
+          </widget>
+          <widget class="QWidget" name="tab2">
+           <attribute name="title">
+            <string>Condenser</string>
+           </attribute>
+           <layout class="QVBoxLayout" name="verticalLayout_5">
+            <item>
+             <layout class="QGridLayout" name="lay2">
+              <item row="3" column="0">
+               <widget class="QLabel" name="l7">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+              <item row="0" column="0">
+               <widget class="QLabel" name="l4">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+              <item row="1" column="0">
+               <widget class="QLabel" name="l5">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+              <item row="2" column="2">
+               <widget class="QComboBox" name="cb1"/>
+              </item>
+              <item row="1" column="2">
+               <widget class="QLineEdit" name="le5"/>
+              </item>
+              <item row="2" column="0">
+               <widget class="QLabel" name="l6">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+              <item row="3" column="2">
+               <widget class="QComboBox" name="cb2">
+                <property name="enabled">
+                 <bool>false</bool>
+                </property>
+               </widget>
+              </item>
+              <item row="0" column="3">
+               <widget class="QLabel" name="u1">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+              <item row="1" column="3">
+               <widget class="QLabel" name="u2">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+              <item row="4" column="2">
+               <widget class="QLineEdit" name="le6"/>
+              </item>
+              <item row="0" column="2">
+               <widget class="QComboBox" name="cb5"/>
+              </item>
+             </layout>
+            </item>
+           </layout>
+          </widget>
+          <widget class="QWidget" name="tab3">
+           <attribute name="title">
+            <string>Reboiler</string>
+           </attribute>
+           <layout class="QVBoxLayout" name="verticalLayout_7">
+            <item>
+             <layout class="QGridLayout" name="lay3">
+              <item row="4" column="0">
+               <widget class="QLabel" name="l9">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+              <item row="3" column="0">
+               <widget class="QLabel" name="l8">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+              <item row="5" column="0">
+               <widget class="QLabel" name="l10">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+              <item row="5" column="2">
+               <widget class="QComboBox" name="cb4">
+                <property name="enabled">
+                 <bool>false</bool>
+                </property>
+               </widget>
+              </item>
+              <item row="3" column="2">
+               <widget class="QLineEdit" name="le7"/>
+              </item>
+              <item row="4" column="2">
+               <widget class="QComboBox" name="cb3"/>
+              </item>
+              <item row="6" column="2">
+               <widget class="QLineEdit" name="le8"/>
+              </item>
+              <item row="3" column="3">
+               <widget class="QLabel" name="u3">
+                <property name="text">
+                 <string>TextLabel</string>
+                </property>
+               </widget>
+              </item>
+             </layout>
+            </item>
+           </layout>
+          </widget>
+         </widget>
+        </item>
+        <item>
+         <widget class="QGroupBox" name="groupBox">
+          <property name="title">
+           <string/>
+          </property>
+          <layout class="QVBoxLayout" name="verticalLayout_3">
+           <item>
+            <layout class="QHBoxLayout" name="horizontalLayout_2">
+             <item>
+              <widget class="QLabel" name="label">
+               <property name="text">
+                <string>Thermo Package</string>
+               </property>
+              </widget>
+             </item>
+             <item>
+              <widget class="QComboBox" name="cbTP"/>
+             </item>
+            </layout>
+           </item>
+          </layout>
+         </widget>
+        </item>
+       </layout>
+      </widget>
+     </item>
+     <item>
+      <widget class="QPushButton" name="pushButton_2">
+       <property name="text">
+        <string>Submit</string>
+       </property>
+      </widget>
+     </item>
+    </layout>
+   </widget>
+   <widget class="QWidget" name="tab_2">
+    <attribute name="title">
+     <string>Results</string>
+    </attribute>
+    <layout class="QVBoxLayout" name="verticalLayout_8">
+     <item>
+      <widget class="QGroupBox" name="groupBox_3">
+       <property name="title">
+        <string/>
+       </property>
+       <widget class="QTableWidget" name="tableWidget">
+        <property name="geometry">
+         <rect>
+          <x>12</x>
+          <y>15</y>
+          <width>301</width>
+          <height>151</height>
+         </rect>
+        </property>
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Fixed" vsizetype="Expanding">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="columnCount">
+         <number>3</number>
+        </property>
+        <attribute name="horizontalHeaderDefaultSectionSize">
+         <number>110</number>
+        </attribute>
+        <attribute name="horizontalHeaderStretchLastSection">
+         <bool>true</bool>
+        </attribute>
+        <column>
+         <property name="text">
+          <string>Attribute</string>
+         </property>
+        </column>
+        <column>
+         <property name="text">
+          <string>Value</string>
+         </property>
+        </column>
+        <column>
+         <property name="text">
+          <string>Unit</string>
+         </property>
+        </column>
+       </widget>
+      </widget>
+     </item>
+     <item>
+      <widget class="QPushButton" name="stageResultsButton">
+       <property name="sizePolicy">
+        <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
+         <horstretch>0</horstretch>
+         <verstretch>0</verstretch>
+        </sizepolicy>
+       </property>
+       <property name="text">
+        <string>Stagewise Results</string>
+       </property>
+      </widget>
+     </item>
+    </layout>
+   </widget>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/DockWidgets/DockWidgetFlash.ui b/src/main/ui/DockWidgets/DockWidgetFlash.ui
new file mode 100644
index 0000000..c781aa6
--- /dev/null
+++ b/src/main/ui/DockWidgets/DockWidgetFlash.ui
@@ -0,0 +1,161 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+  <property name="enabled">
+   <bool>true</bool>
+  </property>
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>392</width>
+    <height>700</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="maximumSize">
+   <size>
+    <width>3200</width>
+    <height>5000</height>
+   </size>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <widget class="QGroupBox" name="groupBox">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>40</y>
+     <width>341</width>
+     <height>141</height>
+    </rect>
+   </property>
+   <property name="sizePolicy">
+    <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+     <horstretch>0</horstretch>
+     <verstretch>0</verstretch>
+    </sizepolicy>
+   </property>
+   <property name="autoFillBackground">
+    <bool>true</bool>
+   </property>
+   <property name="styleSheet">
+    <string notr="true">Q</string>
+   </property>
+   <property name="title">
+    <string>Calculation Parameters</string>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout">
+    <item>
+     <layout class="QGridLayout" name="gridLayout">
+      <item row="2" column="2">
+       <widget class="QLineEdit" name="le3">
+        <property name="enabled">
+         <bool>false</bool>
+        </property>
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+       </widget>
+      </item>
+      <item row="2" column="3">
+       <widget class="QLabel" name="u3">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="2">
+       <widget class="QLineEdit" name="le2">
+        <property name="enabled">
+         <bool>false</bool>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="3">
+       <widget class="QLabel" name="u2">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="0">
+       <widget class="QLabel" name="l1">
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="2" column="0">
+       <widget class="QCheckBox" name="check2">
+        <property name="text">
+         <string>CheckBox</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="2">
+       <widget class="QComboBox" name="cb1">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="0">
+       <widget class="QCheckBox" name="check1">
+        <property name="text">
+         <string>CheckBox</string>
+        </property>
+       </widget>
+      </item>
+     </layout>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QPushButton" name="btn">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>190</y>
+     <width>341</width>
+     <height>23</height>
+    </rect>
+   </property>
+   <property name="sizePolicy">
+    <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+     <horstretch>0</horstretch>
+     <verstretch>0</verstretch>
+    </sizepolicy>
+   </property>
+   <property name="text">
+    <string>Submit</string>
+   </property>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/DockWidgets/DockWidgetMaterialStream.ui b/src/main/ui/DockWidgets/DockWidgetMaterialStream.ui
new file mode 100644
index 0000000..8b9df28
--- /dev/null
+++ b/src/main/ui/DockWidgets/DockWidgetMaterialStream.ui
@@ -0,0 +1,490 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+  <property name="enabled">
+   <bool>true</bool>
+  </property>
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>392</width>
+    <height>700</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="maximumSize">
+   <size>
+    <width>3200</width>
+    <height>5000</height>
+   </size>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <widget class="QTabWidget" name="tabWidget">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>30</y>
+     <width>361</width>
+     <height>621</height>
+    </rect>
+   </property>
+   <property name="autoFillBackground">
+    <bool>true</bool>
+   </property>
+   <property name="currentIndex">
+    <number>0</number>
+   </property>
+   <widget class="QWidget" name="tab">
+    <attribute name="title">
+     <string>Input Data</string>
+    </attribute>
+    <layout class="QVBoxLayout" name="verticalLayout_5">
+     <property name="sizeConstraint">
+      <enum>QLayout::SetFixedSize</enum>
+     </property>
+     <item>
+      <widget class="QGroupBox" name="groupBox">
+       <property name="title">
+        <string>Mode Selection</string>
+       </property>
+       <layout class="QHBoxLayout" name="horizontalLayout_2">
+        <item>
+         <layout class="QHBoxLayout" name="horizontalLayout">
+          <item>
+           <widget class="QLabel" name="label">
+            <property name="sizePolicy">
+             <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+              <horstretch>0</horstretch>
+              <verstretch>0</verstretch>
+             </sizepolicy>
+            </property>
+            <property name="text">
+             <string>Mode : </string>
+            </property>
+           </widget>
+          </item>
+          <item>
+           <widget class="QComboBox" name="comboBox">
+            <property name="enabled">
+             <bool>true</bool>
+            </property>
+            <property name="sizePolicy">
+             <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+              <horstretch>0</horstretch>
+              <verstretch>0</verstretch>
+             </sizepolicy>
+            </property>
+           </widget>
+          </item>
+         </layout>
+        </item>
+       </layout>
+      </widget>
+     </item>
+     <item>
+      <widget class="QGroupBox" name="groupBox_2">
+       <property name="title">
+        <string>Parameter Selection</string>
+       </property>
+       <layout class="QVBoxLayout" name="verticalLayout">
+        <property name="sizeConstraint">
+         <enum>QLayout::SetFixedSize</enum>
+        </property>
+        <item>
+         <layout class="QFormLayout" name="formLayout"/>
+        </item>
+       </layout>
+      </widget>
+     </item>
+     <item>
+      <widget class="QGroupBox" name="groupBox_3">
+       <property name="title">
+        <string/>
+       </property>
+       <layout class="QHBoxLayout" name="horizontalLayout_10">
+        <property name="sizeConstraint">
+         <enum>QLayout::SetDefaultConstraint</enum>
+        </property>
+        <item>
+         <layout class="QHBoxLayout" name="horizontalLayout_11">
+          <item>
+           <widget class="QLabel" name="label_2">
+            <property name="sizePolicy">
+             <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+              <horstretch>0</horstretch>
+              <verstretch>0</verstretch>
+             </sizepolicy>
+            </property>
+            <property name="text">
+             <string>Thermo Package</string>
+            </property>
+           </widget>
+          </item>
+          <item>
+           <widget class="QComboBox" name="cbTP">
+            <property name="enabled">
+             <bool>true</bool>
+            </property>
+            <property name="sizePolicy">
+             <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+              <horstretch>0</horstretch>
+              <verstretch>0</verstretch>
+             </sizepolicy>
+            </property>
+           </widget>
+          </item>
+         </layout>
+        </item>
+       </layout>
+      </widget>
+     </item>
+     <item>
+      <widget class="QPushButton" name="pushButton_2">
+       <property name="text">
+        <string>Submit</string>
+       </property>
+      </widget>
+     </item>
+    </layout>
+   </widget>
+   <widget class="QWidget" name="tab_2">
+    <attribute name="title">
+     <string>Results</string>
+    </attribute>
+    <layout class="QHBoxLayout" name="horizontalLayout_3">
+     <item>
+      <widget class="QToolBox" name="toolBox">
+       <property name="sizePolicy">
+        <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
+         <horstretch>0</horstretch>
+         <verstretch>0</verstretch>
+        </sizepolicy>
+       </property>
+       <property name="font">
+        <font>
+         <pointsize>8</pointsize>
+         <weight>75</weight>
+         <bold>true</bold>
+        </font>
+       </property>
+       <property name="styleSheet">
+        <string notr="true">QToolBox{
+	background: white;
+	border: 1px solid gray;
+	selection-background-color: rgb(255, 170, 127);
+}
+</string>
+       </property>
+       <property name="currentIndex">
+        <number>0</number>
+       </property>
+       <widget class="QWidget" name="mixtureTB">
+        <property name="geometry">
+         <rect>
+          <x>0</x>
+          <y>0</y>
+          <width>341</width>
+          <height>518</height>
+         </rect>
+        </property>
+        <property name="styleSheet">
+         <string notr="true">QWidget{
+	background: white;
+}</string>
+        </property>
+        <attribute name="label">
+         <string>Mixture</string>
+        </attribute>
+        <layout class="QHBoxLayout" name="horizontalLayout_4">
+         <item>
+          <widget class="QTabWidget" name="tabWidget_2">
+           <property name="autoFillBackground">
+            <bool>false</bool>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">QTabWidget{
+	background: rgb(240, 240, 240);
+}</string>
+           </property>
+           <property name="tabPosition">
+            <enum>QTabWidget::North</enum>
+           </property>
+           <property name="tabShape">
+            <enum>QTabWidget::Triangular</enum>
+           </property>
+           <property name="currentIndex">
+            <number>0</number>
+           </property>
+           <property name="elideMode">
+            <enum>Qt::ElideNone</enum>
+           </property>
+           <widget class="QWidget" name="tab_3">
+            <attribute name="title">
+             <string>Amounts</string>
+            </attribute>
+            <layout class="QHBoxLayout" name="horizontalLayout_5">
+             <item>
+              <widget class="QTreeWidget" name="mTreeWidget">
+               <attribute name="headerCascadingSectionResizes">
+                <bool>false</bool>
+               </attribute>
+               <attribute name="headerDefaultSectionSize">
+                <number>150</number>
+               </attribute>
+               <attribute name="headerShowSortIndicator" stdset="0">
+                <bool>false</bool>
+               </attribute>
+               <column>
+                <property name="text">
+                 <string notr="true">1</string>
+                </property>
+               </column>
+              </widget>
+             </item>
+            </layout>
+           </widget>
+           <widget class="QWidget" name="tab_4">
+            <attribute name="title">
+             <string>Phase Properties</string>
+            </attribute>
+            <layout class="QVBoxLayout" name="verticalLayout_3">
+             <item>
+              <widget class="QTableWidget" name="mTableWidget">
+               <property name="columnCount">
+                <number>3</number>
+               </property>
+               <attribute name="horizontalHeaderCascadingSectionResizes">
+                <bool>false</bool>
+               </attribute>
+               <attribute name="horizontalHeaderDefaultSectionSize">
+                <number>100</number>
+               </attribute>
+               <attribute name="horizontalHeaderShowSortIndicator" stdset="0">
+                <bool>false</bool>
+               </attribute>
+               <attribute name="horizontalHeaderStretchLastSection">
+                <bool>true</bool>
+               </attribute>
+               <attribute name="verticalHeaderStretchLastSection">
+                <bool>false</bool>
+               </attribute>
+               <column>
+                <property name="text">
+                 <string>Attribute</string>
+                </property>
+               </column>
+               <column>
+                <property name="text">
+                 <string>Value</string>
+                </property>
+               </column>
+               <column>
+                <property name="text">
+                 <string>Unit</string>
+                </property>
+               </column>
+              </widget>
+             </item>
+            </layout>
+           </widget>
+          </widget>
+         </item>
+        </layout>
+       </widget>
+       <widget class="QWidget" name="liquidTB">
+        <property name="geometry">
+         <rect>
+          <x>0</x>
+          <y>0</y>
+          <width>341</width>
+          <height>518</height>
+         </rect>
+        </property>
+        <property name="styleSheet">
+         <string notr="true">QWidget{
+	background: white;
+}</string>
+        </property>
+        <attribute name="label">
+         <string>Liquid</string>
+        </attribute>
+        <layout class="QVBoxLayout" name="verticalLayout_2">
+         <item>
+          <widget class="QTabWidget" name="tabWidget_3">
+           <property name="styleSheet">
+            <string notr="true">QTabWidget{
+	background: rgb(240, 240, 240);
+}</string>
+           </property>
+           <property name="tabShape">
+            <enum>QTabWidget::Triangular</enum>
+           </property>
+           <property name="currentIndex">
+            <number>0</number>
+           </property>
+           <widget class="QWidget" name="tab_5">
+            <attribute name="title">
+             <string>Amounts</string>
+            </attribute>
+            <layout class="QHBoxLayout" name="horizontalLayout_6">
+             <item>
+              <widget class="QTreeWidget" name="lTreeWidget">
+               <attribute name="headerDefaultSectionSize">
+                <number>150</number>
+               </attribute>
+               <column>
+                <property name="text">
+                 <string notr="true">1</string>
+                </property>
+               </column>
+              </widget>
+             </item>
+            </layout>
+           </widget>
+           <widget class="QWidget" name="tab_6">
+            <attribute name="title">
+             <string>Phase Properties</string>
+            </attribute>
+            <layout class="QHBoxLayout" name="horizontalLayout_9">
+             <item>
+              <widget class="QTableWidget" name="lTableWidget">
+               <property name="columnCount">
+                <number>3</number>
+               </property>
+               <attribute name="horizontalHeaderDefaultSectionSize">
+                <number>100</number>
+               </attribute>
+               <attribute name="horizontalHeaderStretchLastSection">
+                <bool>true</bool>
+               </attribute>
+               <column>
+                <property name="text">
+                 <string>Attribute</string>
+                </property>
+               </column>
+               <column>
+                <property name="text">
+                 <string>Value</string>
+                </property>
+               </column>
+               <column>
+                <property name="text">
+                 <string>Unit</string>
+                </property>
+               </column>
+              </widget>
+             </item>
+            </layout>
+           </widget>
+          </widget>
+         </item>
+        </layout>
+       </widget>
+       <widget class="QWidget" name="vapourTB">
+        <property name="geometry">
+         <rect>
+          <x>0</x>
+          <y>0</y>
+          <width>137</width>
+          <height>96</height>
+         </rect>
+        </property>
+        <property name="styleSheet">
+         <string notr="true">QWidget{
+	background: white;
+
+}</string>
+        </property>
+        <attribute name="label">
+         <string>Vapour</string>
+        </attribute>
+        <layout class="QHBoxLayout" name="horizontalLayout_7">
+         <item>
+          <widget class="QTabWidget" name="tabWidget_4">
+           <property name="styleSheet">
+            <string notr="true">QTabWidget{
+	background: rgb(240, 240, 240);
+}</string>
+           </property>
+           <property name="tabShape">
+            <enum>QTabWidget::Triangular</enum>
+           </property>
+           <property name="currentIndex">
+            <number>0</number>
+           </property>
+           <widget class="QWidget" name="tab_7">
+            <attribute name="title">
+             <string>Amounts</string>
+            </attribute>
+            <layout class="QHBoxLayout" name="horizontalLayout_8">
+             <item>
+              <widget class="QTreeWidget" name="vTreeWidget">
+               <attribute name="headerDefaultSectionSize">
+                <number>150</number>
+               </attribute>
+               <column>
+                <property name="text">
+                 <string notr="true">1</string>
+                </property>
+               </column>
+              </widget>
+             </item>
+            </layout>
+           </widget>
+           <widget class="QWidget" name="tab_8">
+            <attribute name="title">
+             <string>Phase Properties</string>
+            </attribute>
+            <layout class="QVBoxLayout" name="verticalLayout_4">
+             <item>
+              <widget class="QTableWidget" name="vTableWidget">
+               <property name="columnCount">
+                <number>3</number>
+               </property>
+               <attribute name="horizontalHeaderDefaultSectionSize">
+                <number>100</number>
+               </attribute>
+               <attribute name="horizontalHeaderStretchLastSection">
+                <bool>true</bool>
+               </attribute>
+               <column>
+                <property name="text">
+                 <string>Attribute</string>
+                </property>
+               </column>
+               <column>
+                <property name="text">
+                 <string>Value</string>
+                </property>
+               </column>
+               <column>
+                <property name="text">
+                 <string>Unit</string>
+                </property>
+               </column>
+              </widget>
+             </item>
+            </layout>
+           </widget>
+          </widget>
+         </item>
+        </layout>
+       </widget>
+      </widget>
+     </item>
+    </layout>
+   </widget>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/DockWidgets/DockWidgetMixer.ui b/src/main/ui/DockWidgets/DockWidgetMixer.ui
new file mode 100644
index 0000000..e039490
--- /dev/null
+++ b/src/main/ui/DockWidgets/DockWidgetMixer.ui
@@ -0,0 +1,137 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+  <property name="enabled">
+   <bool>true</bool>
+  </property>
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>392</width>
+    <height>700</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="maximumSize">
+   <size>
+    <width>3200</width>
+    <height>5000</height>
+   </size>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <widget class="QGroupBox" name="groupBox">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>40</y>
+     <width>341</width>
+     <height>101</height>
+    </rect>
+   </property>
+   <property name="sizePolicy">
+    <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+     <horstretch>0</horstretch>
+     <verstretch>0</verstretch>
+    </sizepolicy>
+   </property>
+   <property name="autoFillBackground">
+    <bool>true</bool>
+   </property>
+   <property name="title">
+    <string>Calculation Parameters</string>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout">
+    <item>
+     <layout class="QGridLayout" name="gridLayout">
+      <item row="0" column="3">
+       <widget class="QLabel" name="u1">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="2">
+       <widget class="QComboBox" name="cb2">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="0">
+       <widget class="QLabel" name="l1">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="2">
+       <widget class="QLineEdit" name="le1">
+        <property name="enabled">
+         <bool>false</bool>
+        </property>
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="0">
+       <widget class="QLabel" name="l2">
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+     </layout>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QPushButton" name="btn">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>150</y>
+     <width>341</width>
+     <height>23</height>
+    </rect>
+   </property>
+   <property name="sizePolicy">
+    <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+     <horstretch>0</horstretch>
+     <verstretch>0</verstretch>
+    </sizepolicy>
+   </property>
+   <property name="text">
+    <string>Submit</string>
+   </property>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/DockWidgets/DockWidgetShortcutColumn.ui b/src/main/ui/DockWidgets/DockWidgetShortcutColumn.ui
new file mode 100644
index 0000000..f79c27e
--- /dev/null
+++ b/src/main/ui/DockWidgets/DockWidgetShortcutColumn.ui
@@ -0,0 +1,360 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+  <property name="enabled">
+   <bool>true</bool>
+  </property>
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>392</width>
+    <height>700</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="maximumSize">
+   <size>
+    <width>3200</width>
+    <height>5000</height>
+   </size>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <widget class="QTabWidget" name="tabWidget">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>40</y>
+     <width>381</width>
+     <height>611</height>
+    </rect>
+   </property>
+   <property name="currentIndex">
+    <number>0</number>
+   </property>
+   <widget class="QWidget" name="tab">
+    <attribute name="title">
+     <string>Input Data</string>
+    </attribute>
+    <widget class="QGroupBox" name="groupBox">
+     <property name="geometry">
+      <rect>
+       <x>8</x>
+       <y>13</y>
+       <width>331</width>
+       <height>261</height>
+      </rect>
+     </property>
+     <property name="sizePolicy">
+      <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+       <horstretch>0</horstretch>
+       <verstretch>0</verstretch>
+      </sizepolicy>
+     </property>
+     <property name="title">
+      <string>Calculation Parameters</string>
+     </property>
+     <layout class="QHBoxLayout" name="horizontalLayout_2">
+      <item>
+       <layout class="QGridLayout" name="gridLayout">
+        <item row="3" column="2">
+         <widget class="QLineEdit" name="le4">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+        <item row="5" column="2">
+         <widget class="QLineEdit" name="le6">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+        <item row="6" column="3">
+         <widget class="QLabel" name="u7">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="6" column="0">
+         <widget class="QLabel" name="l7">
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="1" column="2">
+         <widget class="QComboBox" name="cb2">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+        <item row="5" column="3">
+         <widget class="QLabel" name="u6">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="7" column="2">
+         <widget class="QLineEdit" name="le8">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+        <item row="7" column="0">
+         <widget class="QLabel" name="l8">
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="6" column="2">
+         <widget class="QLineEdit" name="le7">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+        <item row="0" column="2">
+         <widget class="QComboBox" name="cb1">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+        <item row="3" column="0">
+         <widget class="QLabel" name="l4">
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="4" column="2">
+         <widget class="QComboBox" name="cb5">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+        <item row="2" column="2">
+         <widget class="QLineEdit" name="le3">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+         </widget>
+        </item>
+        <item row="2" column="0">
+         <widget class="QLabel" name="l3">
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="2" column="3">
+         <widget class="QLabel" name="u3">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="3" column="3">
+         <widget class="QLabel" name="u4">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="0" column="0">
+         <widget class="QLabel" name="l1">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="5" column="0">
+         <widget class="QLabel" name="l6">
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="4" column="0">
+         <widget class="QLabel" name="l5">
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="1" column="0">
+         <widget class="QLabel" name="l2">
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+       </layout>
+      </item>
+     </layout>
+    </widget>
+    <widget class="QPushButton" name="btn">
+     <property name="geometry">
+      <rect>
+       <x>10</x>
+       <y>350</y>
+       <width>331</width>
+       <height>23</height>
+      </rect>
+     </property>
+     <property name="sizePolicy">
+      <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+       <horstretch>0</horstretch>
+       <verstretch>0</verstretch>
+      </sizepolicy>
+     </property>
+     <property name="text">
+      <string>Submit</string>
+     </property>
+    </widget>
+    <widget class="QGroupBox" name="groupBox_2">
+     <property name="geometry">
+      <rect>
+       <x>10</x>
+       <y>280</y>
+       <width>331</width>
+       <height>61</height>
+      </rect>
+     </property>
+     <property name="sizePolicy">
+      <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+       <horstretch>0</horstretch>
+       <verstretch>0</verstretch>
+      </sizepolicy>
+     </property>
+     <property name="title">
+      <string/>
+     </property>
+     <layout class="QHBoxLayout" name="horizontalLayout_3">
+      <item>
+       <layout class="QGridLayout" name="gridLayout_2">
+        <item row="2" column="0">
+         <widget class="QLabel" name="l9">
+          <property name="text">
+           <string>TextLabel</string>
+          </property>
+         </widget>
+        </item>
+        <item row="2" column="1">
+         <widget class="QComboBox" name="cb6"/>
+        </item>
+       </layout>
+      </item>
+     </layout>
+    </widget>
+   </widget>
+   <widget class="QWidget" name="tab_2">
+    <attribute name="title">
+     <string>Results</string>
+    </attribute>
+    <layout class="QHBoxLayout" name="horizontalLayout">
+     <item>
+      <widget class="QTableWidget" name="tableWidget">
+       <property name="columnCount">
+        <number>3</number>
+       </property>
+       <attribute name="horizontalHeaderDefaultSectionSize">
+        <number>110</number>
+       </attribute>
+       <attribute name="horizontalHeaderStretchLastSection">
+        <bool>true</bool>
+       </attribute>
+       <column>
+        <property name="text">
+         <string>Attribute</string>
+        </property>
+       </column>
+       <column>
+        <property name="text">
+         <string>Value</string>
+        </property>
+       </column>
+       <column>
+        <property name="text">
+         <string>Unit</string>
+        </property>
+       </column>
+      </widget>
+     </item>
+    </layout>
+   </widget>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/DockWidgets/DockWidgetSplitter.ui b/src/main/ui/DockWidgets/DockWidgetSplitter.ui
new file mode 100644
index 0000000..02a865e
--- /dev/null
+++ b/src/main/ui/DockWidgets/DockWidgetSplitter.ui
@@ -0,0 +1,200 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+  <property name="enabled">
+   <bool>true</bool>
+  </property>
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>392</width>
+    <height>700</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="maximumSize">
+   <size>
+    <width>3200</width>
+    <height>5000</height>
+   </size>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <widget class="QGroupBox" name="groupBox">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>40</y>
+     <width>341</width>
+     <height>161</height>
+    </rect>
+   </property>
+   <property name="sizePolicy">
+    <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+     <horstretch>0</horstretch>
+     <verstretch>0</verstretch>
+    </sizepolicy>
+   </property>
+   <property name="autoFillBackground">
+    <bool>true</bool>
+   </property>
+   <property name="styleSheet">
+    <string notr="true">Q</string>
+   </property>
+   <property name="title">
+    <string>Calculation Parameters</string>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout">
+    <item>
+     <layout class="QGridLayout" name="gridLayout">
+      <item row="1" column="0">
+       <widget class="QLabel" name="l2">
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="0">
+       <widget class="QLabel" name="l1">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Expanding" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="2">
+       <widget class="QLineEdit" name="le1">
+        <property name="enabled">
+         <bool>false</bool>
+        </property>
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+       </widget>
+      </item>
+      <item row="2" column="0">
+       <widget class="QLabel" name="l3">
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="2" column="2">
+       <widget class="QLineEdit" name="le3">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+       </widget>
+      </item>
+      <item row="1" column="2">
+       <widget class="QComboBox" name="cb2">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+       </widget>
+      </item>
+      <item row="0" column="3">
+       <widget class="QLabel" name="u1">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="3" column="0">
+       <widget class="QLabel" name="l4">
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="3" column="2">
+       <widget class="QLineEdit" name="le4">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+       </widget>
+      </item>
+      <item row="2" column="3">
+       <widget class="QLabel" name="u3">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+      <item row="3" column="3">
+       <widget class="QLabel" name="u4">
+        <property name="sizePolicy">
+         <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+          <horstretch>0</horstretch>
+          <verstretch>0</verstretch>
+         </sizepolicy>
+        </property>
+        <property name="text">
+         <string>TextLabel</string>
+        </property>
+       </widget>
+      </item>
+     </layout>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QPushButton" name="btn">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>210</y>
+     <width>341</width>
+     <height>23</height>
+    </rect>
+   </property>
+   <property name="sizePolicy">
+    <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+     <horstretch>0</horstretch>
+     <verstretch>0</verstretch>
+    </sizepolicy>
+   </property>
+   <property name="text">
+    <string>Submit</string>
+   </property>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/utils/Binary_Phase_Env.ui b/src/main/ui/utils/Binary_Phase_Env.ui
new file mode 100644
index 0000000..d9efde7
--- /dev/null
+++ b/src/main/ui/utils/Binary_Phase_Env.ui
@@ -0,0 +1,271 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>1086</width>
+    <height>461</height>
+   </rect>
+  </property>
+  <property name="windowTitle">
+   <string>Form</string>
+  </property>
+  <widget class="QWidget" name="horizontalLayoutWidget">
+   <property name="geometry">
+    <rect>
+     <x>150</x>
+     <y>10</y>
+     <width>281</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout">
+    <item>
+     <widget class="QComboBox" name="comboBox"/>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_3">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>10</y>
+     <width>131</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_3">
+    <item>
+     <widget class="QLabel" name="label">
+      <property name="text">
+       <string>Compound 1</string>
+      </property>
+     </widget>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_4">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>50</y>
+     <width>131</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_4">
+    <item>
+     <widget class="QLabel" name="label_2">
+      <property name="text">
+       <string>Compound 2</string>
+      </property>
+     </widget>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_2">
+   <property name="geometry">
+    <rect>
+     <x>150</x>
+     <y>50</y>
+     <width>281</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_2">
+    <item>
+     <widget class="QComboBox" name="comboBox_2"/>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="formLayoutWidget">
+   <property name="geometry">
+    <rect>
+     <x>20</x>
+     <y>180</y>
+     <width>421</width>
+     <height>91</height>
+    </rect>
+   </property>
+   <layout class="QFormLayout" name="formLayout"/>
+  </widget>
+  <widget class="QPushButton" name="pushButton_2">
+   <property name="geometry">
+    <rect>
+     <x>170</x>
+     <y>280</y>
+     <width>81</width>
+     <height>32</height>
+    </rect>
+   </property>
+   <property name="text">
+    <string>Plot</string>
+   </property>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_5">
+   <property name="geometry">
+    <rect>
+     <x>90</x>
+     <y>140</y>
+     <width>71</width>
+     <height>32</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_5">
+    <item>
+     <widget class="QRadioButton" name="radioButton">
+      <property name="text">
+       <string>T-xy</string>
+      </property>
+     </widget>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_6">
+   <property name="geometry">
+    <rect>
+     <x>240</x>
+     <y>140</y>
+     <width>71</width>
+     <height>32</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_6">
+    <item>
+     <widget class="QRadioButton" name="radioButton_2">
+      <property name="text">
+       <string>P-xy</string>
+      </property>
+     </widget>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_7">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>90</y>
+     <width>131</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_8">
+    <item>
+     <widget class="QLabel" name="label_3">
+      <property name="text">
+       <string>Thermo Pack</string>
+      </property>
+     </widget>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_8">
+   <property name="geometry">
+    <rect>
+     <x>150</x>
+     <y>90</y>
+     <width>281</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_9">
+    <item>
+     <widget class="QComboBox" name="comboBox_3"/>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QTabWidget" name="tabWidget">
+   <property name="geometry">
+    <rect>
+     <x>450</x>
+     <y>0</y>
+     <width>631</width>
+     <height>451</height>
+    </rect>
+   </property>
+   <property name="styleSheet">
+    <string notr="true"/>
+   </property>
+   <property name="currentIndex">
+    <number>-1</number>
+   </property>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_9">
+   <property name="geometry">
+    <rect>
+     <x>180</x>
+     <y>340</y>
+     <width>91</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_7">
+    <item>
+     <widget class="QLabel" name="label_4">
+      <property name="text">
+       <string>x-coordinate</string>
+      </property>
+     </widget>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_10">
+   <property name="geometry">
+    <rect>
+     <x>180</x>
+     <y>380</y>
+     <width>91</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_10">
+    <item>
+     <widget class="QLabel" name="label_5">
+      <property name="text">
+       <string>y-coordinate</string>
+      </property>
+     </widget>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_11">
+   <property name="geometry">
+    <rect>
+     <x>300</x>
+     <y>340</y>
+     <width>121</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_11">
+    <item>
+     <widget class="QLineEdit" name="lineEdit_x">
+      <property name="text">
+       <string/>
+      </property>
+     </widget>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QWidget" name="horizontalLayoutWidget_12">
+   <property name="geometry">
+    <rect>
+     <x>300</x>
+     <y>380</y>
+     <width>121</width>
+     <height>31</height>
+    </rect>
+   </property>
+   <layout class="QHBoxLayout" name="horizontalLayout_12">
+    <item>
+     <widget class="QLineEdit" name="lineEdit_y"/>
+    </item>
+   </layout>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/utils/ComponentSelector.ui b/src/main/ui/utils/ComponentSelector.ui
new file mode 100644
index 0000000..7a43206
--- /dev/null
+++ b/src/main/ui/utils/ComponentSelector.ui
@@ -0,0 +1,130 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Dialog</class>
+ <widget class="QDialog" name="Dialog">
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>461</width>
+    <height>289</height>
+   </rect>
+  </property>
+  <property name="windowTitle">
+   <string>Compound Selector</string>
+  </property>
+  <widget class="QWidget" name="verticalLayoutWidget">
+   <property name="geometry">
+    <rect>
+     <x>10</x>
+     <y>20</y>
+     <width>441</width>
+     <height>256</height>
+    </rect>
+   </property>
+   <layout class="QVBoxLayout" name="verticalLayout">
+    <item>
+     <widget class="QLabel" name="label">
+      <property name="font">
+       <font>
+        <pointsize>9</pointsize>
+        <weight>75</weight>
+        <bold>true</bold>
+       </font>
+      </property>
+      <property name="text">
+       <string>Search For Compounds :</string>
+      </property>
+     </widget>
+    </item>
+    <item>
+     <layout class="QHBoxLayout" name="horizontalLayout_2">
+      <item>
+       <widget class="QLineEdit" name="lineEdit"/>
+      </item>
+      <item>
+       <widget class="QPushButton" name="compoundSelectButton">
+        <property name="text">
+         <string>Select</string>
+        </property>
+        <property name="default">
+         <bool>true</bool>
+        </property>
+       </widget>
+      </item>
+      <item>
+       <widget class="QPushButton" name="pushButton_3">
+        <property name="text">
+         <string>Remove</string>
+        </property>
+        <property name="autoDefault">
+         <bool>false</bool>
+        </property>
+       </widget>
+      </item>
+     </layout>
+    </item>
+    <item>
+     <widget class="QTableWidget" name="tableWidget">
+      <attribute name="horizontalHeaderDefaultSectionSize">
+       <number>110</number>
+      </attribute>
+      <attribute name="horizontalHeaderStretchLastSection">
+       <bool>true</bool>
+      </attribute>
+      <column>
+       <property name="text">
+        <string>CAS Number</string>
+       </property>
+      </column>
+      <column>
+       <property name="text">
+        <string>Name</string>
+       </property>
+      </column>
+      <column>
+       <property name="text">
+        <string>Molecular Formula</string>
+       </property>
+      </column>
+      <column>
+       <property name="text">
+        <string>Molecular Weight</string>
+       </property>
+      </column>
+     </widget>
+    </item>
+    <item>
+     <layout class="QHBoxLayout" name="horizontalLayout_4">
+      <item>
+       <widget class="QPushButton" name="pushButton">
+        <property name="font">
+         <font>
+          <family>Comic Sans MS</family>
+         </font>
+        </property>
+        <property name="text">
+         <string>Submit</string>
+        </property>
+       </widget>
+      </item>
+      <item>
+       <widget class="QPushButton" name="pushButton_2">
+        <property name="font">
+         <font>
+          <family>Comic Sans MS</family>
+         </font>
+        </property>
+        <property name="text">
+         <string>Cancel</string>
+        </property>
+       </widget>
+      </item>
+     </layout>
+    </item>
+   </layout>
+  </widget>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/src/main/ui/utils/main.ui b/src/main/ui/utils/main.ui
new file mode 100644
index 0000000..129b8bf
--- /dev/null
+++ b/src/main/ui/utils/main.ui
@@ -0,0 +1,2199 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>MainWindow</class>
+ <widget class="QMainWindow" name="MainWindow">
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>1068</width>
+    <height>803</height>
+   </rect>
+  </property>
+  <property name="windowTitle">
+   <string>Untitled - Chemical Simulator GUI</string>
+  </property>
+  <property name="windowIcon">
+   <iconset>
+    <normaloff>./../../resources/base/icons/logo.png</normaloff>./../../resources/base/icons/logo.png</iconset>
+  </property>
+  <property name="iconSize">
+   <size>
+    <width>24</width>
+    <height>24</height>
+   </size>
+  </property>
+  <widget class="QWidget" name="centralwidget">
+   <property name="sizePolicy">
+    <sizepolicy hsizetype="Maximum" vsizetype="Maximum">
+     <horstretch>0</horstretch>
+     <verstretch>0</verstretch>
+    </sizepolicy>
+   </property>
+   <layout class="QGridLayout" name="gridLayout">
+    <item row="0" column="0">
+     <widget class="QGraphicsView" name="graphicsView">
+      <property name="sizePolicy">
+       <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
+        <horstretch>0</horstretch>
+        <verstretch>0</verstretch>
+       </sizepolicy>
+      </property>
+      <property name="font">
+       <font>
+        <pointsize>12</pointsize>
+       </font>
+      </property>
+      <property name="mouseTracking">
+       <bool>true</bool>
+      </property>
+      <property name="acceptDrops">
+       <bool>true</bool>
+      </property>
+      <property name="autoFillBackground">
+       <bool>true</bool>
+      </property>
+      <property name="styleSheet">
+       <string notr="true"/>
+      </property>
+      <property name="verticalScrollBarPolicy">
+       <enum>Qt::ScrollBarAsNeeded</enum>
+      </property>
+      <property name="horizontalScrollBarPolicy">
+       <enum>Qt::ScrollBarAsNeeded</enum>
+      </property>
+      <property name="backgroundBrush">
+       <brush brushstyle="NoBrush">
+        <color alpha="255">
+         <red>170</red>
+         <green>170</green>
+         <blue>127</blue>
+        </color>
+       </brush>
+      </property>
+      <property name="foregroundBrush">
+       <brush brushstyle="NoBrush">
+        <color alpha="255">
+         <red>0</red>
+         <green>0</green>
+         <blue>0</blue>
+        </color>
+       </brush>
+      </property>
+      <property name="sceneRect">
+       <rectf>
+        <x>0.000000000000000</x>
+        <y>0.000000000000000</y>
+        <width>5000.000000000000000</width>
+        <height>5000.000000000000000</height>
+       </rectf>
+      </property>
+      <property name="dragMode">
+       <enum>QGraphicsView::RubberBandDrag</enum>
+      </property>
+      <property name="transformationAnchor">
+       <enum>QGraphicsView::AnchorUnderMouse</enum>
+      </property>
+      <property name="resizeAnchor">
+       <enum>QGraphicsView::AnchorUnderMouse</enum>
+      </property>
+      <property name="viewportUpdateMode">
+       <enum>QGraphicsView::FullViewportUpdate</enum>
+      </property>
+      <property name="optimizationFlags">
+       <set>QGraphicsView::DontClipPainter</set>
+      </property>
+     </widget>
+    </item>
+    <item row="1" column="0">
+     <widget class="QDockWidget" name="dockWidget_2">
+      <property name="sizePolicy">
+       <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+        <horstretch>0</horstretch>
+        <verstretch>0</verstretch>
+       </sizepolicy>
+      </property>
+      <property name="minimumSize">
+       <size>
+        <width>89</width>
+        <height>150</height>
+       </size>
+      </property>
+      <property name="maximumSize">
+       <size>
+        <width>524287</width>
+        <height>150</height>
+       </size>
+      </property>
+      <property name="features">
+       <set>QDockWidget::DockWidgetFloatable|QDockWidget::DockWidgetMovable</set>
+      </property>
+      <property name="allowedAreas">
+       <set>Qt::BottomDockWidgetArea</set>
+      </property>
+      <property name="windowTitle">
+       <string>Message Browser</string>
+      </property>
+      <widget class="QWidget" name="dockWidgetContents_2">
+       <layout class="QVBoxLayout" name="verticalLayout_2">
+        <item>
+         <widget class="QTextEdit" name="textBrowser">
+          <property name="readOnly">
+           <bool>true</bool>
+          </property>
+         </widget>
+        </item>
+       </layout>
+      </widget>
+     </widget>
+    </item>
+   </layout>
+  </widget>
+  <widget class="QMenuBar" name="menubar">
+   <property name="geometry">
+    <rect>
+     <x>0</x>
+     <y>0</y>
+     <width>1068</width>
+     <height>21</height>
+    </rect>
+   </property>
+   <widget class="QMenu" name="menuFile">
+    <property name="title">
+     <string>File</string>
+    </property>
+    <addaction name="actionNew"/>
+    <addaction name="actionSave"/>
+    <addaction name="actionOpen"/>
+   </widget>
+   <widget class="QMenu" name="menuEdit">
+    <property name="title">
+     <string>Edit</string>
+    </property>
+    <addaction name="actionUndo"/>
+    <addaction name="actionRedo"/>
+   </widget>
+   <widget class="QMenu" name="menuView">
+    <property name="title">
+     <string>View</string>
+    </property>
+    <addaction name="actionViewComponentSelector"/>
+    <addaction name="actionViewMessageBrowser"/>
+    <addaction name="actionZoomIn"/>
+    <addaction name="actionZoomOut"/>
+    <addaction name="actionResetZoom"/>
+   </widget>
+   <widget class="QMenu" name="menuSimulation">
+    <property name="title">
+     <string>Simulation</string>
+    </property>
+    <addaction name="actionEquationOriented"/>
+    <addaction name="actionSequentialMode"/>
+    <addaction name="separator"/>
+    <addaction name="actionTerminate"/>
+   </widget>
+   <widget class="QMenu" name="menuComponds">
+    <property name="title">
+     <string>Compounds</string>
+    </property>
+    <addaction name="actionSelectCompounds"/>
+   </widget>
+   <widget class="QMenu" name="menuHelp">
+    <property name="title">
+     <string>Help</string>
+    </property>
+    <addaction name="actionHelp"/>
+   </widget>
+   <widget class="QMenu" name="menuUtility">
+    <property name="title">
+     <string>Utility</string>
+    </property>
+    <addaction name="actionBinaryPhaseEnvelope"/>
+   </widget>
+   <addaction name="menuFile"/>
+   <addaction name="menuEdit"/>
+   <addaction name="menuView"/>
+   <addaction name="menuSimulation"/>
+   <addaction name="menuComponds"/>
+   <addaction name="menuHelp"/>
+   <addaction name="menuUtility"/>
+  </widget>
+  <widget class="QDockWidget" name="dockWidget">
+   <property name="enabled">
+    <bool>true</bool>
+   </property>
+   <property name="sizePolicy">
+    <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+     <horstretch>0</horstretch>
+     <verstretch>0</verstretch>
+    </sizepolicy>
+   </property>
+   <property name="minimumSize">
+    <size>
+     <width>270</width>
+     <height>548</height>
+    </size>
+   </property>
+   <property name="maximumSize">
+    <size>
+     <width>270</width>
+     <height>524287</height>
+    </size>
+   </property>
+   <property name="font">
+    <font>
+     <family>Microsoft JhengHei</family>
+     <weight>75</weight>
+     <bold>true</bold>
+    </font>
+   </property>
+   <property name="tabletTracking">
+    <bool>false</bool>
+   </property>
+   <property name="acceptDrops">
+    <bool>false</bool>
+   </property>
+   <property name="floating">
+    <bool>false</bool>
+   </property>
+   <property name="features">
+    <set>QDockWidget::DockWidgetFloatable|QDockWidget::DockWidgetMovable</set>
+   </property>
+   <property name="windowTitle">
+    <string>Component Selector</string>
+   </property>
+   <attribute name="dockWidgetArea">
+    <number>2</number>
+   </attribute>
+   <widget class="QWidget" name="dockWidgetContents">
+    <layout class="QHBoxLayout" name="horizontalLayout_3">
+     <item>
+      <widget class="QScrollArea" name="scrollArea">
+       <property name="sizePolicy">
+        <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+         <horstretch>0</horstretch>
+         <verstretch>0</verstretch>
+        </sizepolicy>
+       </property>
+       <property name="minimumSize">
+        <size>
+         <width>100</width>
+         <height>430</height>
+        </size>
+       </property>
+       <property name="maximumSize">
+        <size>
+         <width>240</width>
+         <height>1000</height>
+        </size>
+       </property>
+       <property name="verticalScrollBarPolicy">
+        <enum>Qt::ScrollBarAlwaysOn</enum>
+       </property>
+       <property name="widgetResizable">
+        <bool>true</bool>
+       </property>
+       <widget class="QWidget" name="scrollAreaWidgetContents">
+        <property name="geometry">
+         <rect>
+          <x>0</x>
+          <y>0</y>
+          <width>221</width>
+          <height>956</height>
+         </rect>
+        </property>
+        <layout class="QVBoxLayout" name="verticalLayout_5">
+         <item>
+          <widget class="QLabel" name="label_2">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>30</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>16777215</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei UI</family>
+             <pointsize>14</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="layoutDirection">
+            <enum>Qt::LeftToRight</enum>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">color:rgba(73,36,73,255)</string>
+           </property>
+           <property name="text">
+            <string>Streams</string>
+           </property>
+           <property name="alignment">
+            <set>Qt::AlignCenter</set>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <italic>false</italic>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="acceptDrops">
+            <bool>true</bool>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left;</string>
+           </property>
+           <property name="text">
+            <string>     MaterialStream</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/MaterialStream.png</normaloff>./../../resources/base/icons/MaterialStream.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>30</width>
+             <height>30</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QLabel" name="label_3">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>30</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>16777215</height>
+            </size>
+           </property>
+           <property name="palette">
+            <palette>
+             <active>
+              <colorrole role="WindowText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Button">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Light">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>69</green>
+                 <blue>69</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Midlight">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>57</green>
+                 <blue>57</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Dark">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>23</green>
+                 <blue>23</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Mid">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>30</green>
+                 <blue>30</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Text">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="BrightText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>255</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ButtonText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Base">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Window">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Shadow">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="AlternateBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>23</green>
+                 <blue>23</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>220</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+             </active>
+             <inactive>
+              <colorrole role="WindowText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Button">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Light">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>69</green>
+                 <blue>69</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Midlight">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>57</green>
+                 <blue>57</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Dark">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>23</green>
+                 <blue>23</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Mid">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>30</green>
+                 <blue>30</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Text">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="BrightText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>255</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ButtonText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Base">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Window">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Shadow">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="AlternateBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>23</green>
+                 <blue>23</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>220</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+             </inactive>
+             <disabled>
+              <colorrole role="WindowText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Button">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Light">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>69</green>
+                 <blue>69</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Midlight">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>57</green>
+                 <blue>57</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Dark">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>23</green>
+                 <blue>23</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Mid">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>30</green>
+                 <blue>30</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Text">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="BrightText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>255</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ButtonText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Base">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Window">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Shadow">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="AlternateBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>220</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+             </disabled>
+            </palette>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei UI</family>
+             <pointsize>14</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="layoutDirection">
+            <enum>Qt::LeftToRight</enum>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">color:rgba(73,36,73,255)</string>
+           </property>
+           <property name="text">
+            <string>Mixer/Splitter</string>
+           </property>
+           <property name="alignment">
+            <set>Qt::AlignCenter</set>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_7">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>      Mixer</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/Mixer.png</normaloff>./../../resources/base/icons/Mixer.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>30</width>
+             <height>30</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_10">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>      Splitter</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/Splitter.png</normaloff>./../../resources/base/icons/Splitter.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>30</width>
+             <height>30</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QLabel" name="label">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>30</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>16777215</height>
+            </size>
+           </property>
+           <property name="palette">
+            <palette>
+             <active>
+              <colorrole role="WindowText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Button">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>70</green>
+                 <blue>70</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Light">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>105</green>
+                 <blue>105</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Midlight">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>87</green>
+                 <blue>87</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Dark">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>35</green>
+                 <blue>35</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Mid">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Text">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="BrightText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>255</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ButtonText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Base">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Window">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>70</green>
+                 <blue>70</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Shadow">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="AlternateBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>35</green>
+                 <blue>35</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>220</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+             </active>
+             <inactive>
+              <colorrole role="WindowText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Button">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>70</green>
+                 <blue>70</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Light">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>105</green>
+                 <blue>105</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Midlight">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>87</green>
+                 <blue>87</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Dark">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>35</green>
+                 <blue>35</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Mid">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Text">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="BrightText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>255</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ButtonText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Base">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Window">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>70</green>
+                 <blue>70</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Shadow">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="AlternateBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>35</green>
+                 <blue>35</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>220</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+             </inactive>
+             <disabled>
+              <colorrole role="WindowText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Button">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>70</green>
+                 <blue>70</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Light">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>105</green>
+                 <blue>105</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Midlight">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>87</green>
+                 <blue>87</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Dark">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>35</green>
+                 <blue>35</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Mid">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>46</green>
+                 <blue>46</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Text">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="BrightText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>255</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ButtonText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>73</red>
+                 <green>36</green>
+                 <blue>73</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Base">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>70</green>
+                 <blue>70</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Window">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>70</green>
+                 <blue>70</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="Shadow">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="AlternateBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>70</green>
+                 <blue>70</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipBase">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>255</red>
+                 <green>255</green>
+                 <blue>220</blue>
+                </color>
+               </brush>
+              </colorrole>
+              <colorrole role="ToolTipText">
+               <brush brushstyle="SolidPattern">
+                <color alpha="255">
+                 <red>0</red>
+                 <green>0</green>
+                 <blue>0</blue>
+                </color>
+               </brush>
+              </colorrole>
+             </disabled>
+            </palette>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei UI</family>
+             <pointsize>14</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="layoutDirection">
+            <enum>Qt::LeftToRight</enum>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">color:rgba(73,36,73,255)</string>
+           </property>
+           <property name="text">
+            <string>Exchangers</string>
+           </property>
+           <property name="alignment">
+            <set>Qt::AlignCenter</set>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_11">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>     Heater</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/Heater.png</normaloff>./../../resources/base/icons/Heater.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>40</width>
+             <height>40</height>
+            </size>
+           </property>
+           <property name="autoDefault">
+            <bool>false</bool>
+           </property>
+           <property name="default">
+            <bool>false</bool>
+           </property>
+           <property name="flat">
+            <bool>false</bool>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_12">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>     Cooler</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/Cooler.png</normaloff>./../../resources/base/icons/Cooler.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>40</width>
+             <height>40</height>
+            </size>
+           </property>
+           <property name="flat">
+            <bool>false</bool>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QLabel" name="label_4">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>30</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>16777215</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei UI</family>
+             <pointsize>14</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="layoutDirection">
+            <enum>Qt::LeftToRight</enum>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">color:rgba(73,36,73,255)</string>
+           </property>
+           <property name="text">
+            <string>Separator</string>
+           </property>
+           <property name="alignment">
+            <set>Qt::AlignCenter</set>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_9">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Expanding">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>       Flash</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/Flash.png</normaloff>./../../resources/base/icons/Flash.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>40</width>
+             <height>40</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_13">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>       Compound Seperator</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/CompoundSeparator.png</normaloff>./../../resources/base/icons/CompoundSeparator.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>40</width>
+             <height>40</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QLabel" name="label_5">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>30</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>16777215</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei UI</family>
+             <pointsize>14</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">color:rgba(73,36,73,255)</string>
+           </property>
+           <property name="text">
+            <string>Pressure Changers</string>
+           </property>
+           <property name="alignment">
+            <set>Qt::AlignCenter</set>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_25">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>      Valve</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/Valve.png</normaloff>./../../resources/base/icons/Valve.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>30</width>
+             <height>30</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_14">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>      Centrifugal Pump</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/CentrifugalPump.png</normaloff>./../../resources/base/icons/CentrifugalPump.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>30</width>
+             <height>30</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_15">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>      Adiabatic Compressor</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/AdiabaticCompressor.png</normaloff>./../../resources/base/icons/AdiabaticCompressor.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>30</width>
+             <height>30</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_16">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="autoFillBackground">
+            <bool>false</bool>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>      Adiabatic Expander</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/AdiabaticExpander.png</normaloff>./../../resources/base/icons/AdiabaticExpander.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>30</width>
+             <height>30</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QLabel" name="label_6">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>30</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>16777215</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei UI</family>
+             <pointsize>14</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">color:rgba(73,36,73,255)</string>
+           </property>
+           <property name="text">
+            <string>Columns</string>
+           </property>
+           <property name="alignment">
+            <set>Qt::AlignCenter</set>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_26">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>          Distillation Column</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/Column.png</normaloff>./../../resources/base/icons/Column.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>50</width>
+             <height>50</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+         <item>
+          <widget class="QPushButton" name="pushButton_18">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="minimumSize">
+            <size>
+             <width>0</width>
+             <height>50</height>
+            </size>
+           </property>
+           <property name="maximumSize">
+            <size>
+             <width>200</width>
+             <height>16777215</height>
+            </size>
+           </property>
+           <property name="font">
+            <font>
+             <family>Microsoft JhengHei</family>
+             <pointsize>10</pointsize>
+             <weight>75</weight>
+             <bold>true</bold>
+            </font>
+           </property>
+           <property name="styleSheet">
+            <string notr="true">Text-align:left</string>
+           </property>
+           <property name="text">
+            <string>          Shortcut Column</string>
+           </property>
+           <property name="icon">
+            <iconset>
+             <normaloff>./../../resources/base/icons/Column.png</normaloff>./../../resources/base/icons/Column.png</iconset>
+           </property>
+           <property name="iconSize">
+            <size>
+             <width>50</width>
+             <height>50</height>
+            </size>
+           </property>
+          </widget>
+         </item>
+        </layout>
+       </widget>
+      </widget>
+     </item>
+    </layout>
+   </widget>
+  </widget>
+  <widget class="QToolBar" name="toolBar">
+   <property name="windowTitle">
+    <string>toolBar</string>
+   </property>
+   <property name="styleSheet">
+    <string notr="true"/>
+   </property>
+   <attribute name="toolBarArea">
+    <enum>TopToolBarArea</enum>
+   </attribute>
+   <attribute name="toolBarBreak">
+    <bool>false</bool>
+   </attribute>
+   <addaction name="actionNew"/>
+   <addaction name="separator"/>
+   <addaction name="actionZoomIn"/>
+   <addaction name="actionZoomOut"/>
+   <addaction name="actionResetZoom"/>
+   <addaction name="separator"/>
+   <addaction name="actionEquationOriented"/>
+   <addaction name="actionSequentialMode"/>
+   <addaction name="actionTerminate"/>
+   <addaction name="separator"/>
+   <addaction name="actionSelectCompounds"/>
+  </widget>
+  <action name="actionZoomIn">
+   <property name="icon">
+    <iconset>
+     <normaloff>./../../resources/base/icons/zoom_in.png</normaloff>./../../resources/base/icons/zoom_in.png</iconset>
+   </property>
+   <property name="text">
+    <string>ZoomIn</string>
+   </property>
+  </action>
+  <action name="actionZoomOut">
+   <property name="icon">
+    <iconset>
+     <normaloff>./../../resources/base/icons/zoom_out.png</normaloff>./../../resources/base/icons/zoom_out.png</iconset>
+   </property>
+   <property name="text">
+    <string>ZoomOut</string>
+   </property>
+  </action>
+  <action name="actionResetZoom">
+   <property name="icon">
+    <iconset>
+     <normaloff>./../../resources/base/icons/zoom_reset.png</normaloff>./../../resources/base/icons/zoom_reset.png</iconset>
+   </property>
+   <property name="text">
+    <string>ResetZoom</string>
+   </property>
+  </action>
+  <action name="actionEquationOriented">
+   <property name="icon">
+    <iconset>
+     <normaloff>./../../resources/base/icons/eq.png</normaloff>./../../resources/base/icons/eq.png</iconset>
+   </property>
+   <property name="text">
+    <string>Equation oriented</string>
+   </property>
+  </action>
+  <action name="actionSequentialMode">
+   <property name="enabled">
+    <bool>false</bool>
+   </property>
+   <property name="icon">
+    <iconset>
+     <normaloff>./../../resources/base/icons/sq.png</normaloff>./../../resources/base/icons/sq.png</iconset>
+   </property>
+   <property name="text">
+    <string>Sequential mode</string>
+   </property>
+  </action>
+  <action name="actionTerminate">
+  <property name="enabled">
+    <bool>false</bool>
+   </property>
+   <property name="icon">
+    <iconset>
+     <normaloff>./../../resources/base/icons/stop.png</normaloff>./../../resources/base/icons/stop.png</iconset>
+   </property>
+   <property name="text">
+    <string>Stop Simulation</string>
+   </property>
+  </action>
+  <action name="actionSelectCompounds">
+   <property name="icon">
+    <iconset>
+     <normaloff>./../../resources/base/icons/compound.png</normaloff>./../../resources/base/icons/compound.png</iconset>
+   </property>
+   <property name="text">
+    <string>Select Compounds</string>
+   </property>
+  </action>
+  <action name="actionNew">
+   <property name="icon">
+    <iconset>
+     <normaloff>./../../resources/base/icons/new.png</normaloff>./../../resources/base/icons/new.png</iconset>
+   </property>
+   <property name="text">
+    <string>New</string>
+   </property>
+  </action>
+  <action name="actionHelp">
+    <property name="icon">
+      <iconset>
+      <normaloff>./../../resources/base/icons/help.png</normaloff>./../../resources/base/icons/help.png</iconset>
+    </property>
+   <property name="text">
+    <string>Help</string>
+   </property>
+  </action>
+  <action name="actionSave">
+    <property name="icon">
+    <iconset>
+     <normaloff>./../../resources/base/icons/save.png</normaloff>./../../resources/base/icons/save.png</iconset>
+   </property>
+   <property name="text">
+    <string>Save</string>
+   </property>
+  </action>
+  <action name="actionOpen">
+    <property name="icon">
+      <iconset>
+      <normaloff>./../../resources/base/icons/open.png</normaloff>./../../resources/base/icons/open.png</iconset>
+    </property>
+   <property name="text">
+    <string>Open</string>
+   </property>
+  </action>
+  <action name="actionBinaryPhaseEnvelope">
+    <property name="icon">
+      <iconset>
+      <normaloff>./../../resources/base/icons/bpe.png</normaloff>./../../resources/base/icons/bpe.png</iconset>
+    </property>
+   <property name="text">
+    <string>Binary Phase Envelope</string>
+   </property>
+  </action>
+  <action name="actionTerminate">
+   <property name="text">
+    <string>Stop Simulation</string>
+   </property>
+  </action>
+  <action name="actionUndo">
+    <property name="enabled">
+      <bool>false</bool>
+    </property>
+    <property name="icon">
+      <iconset>
+      <normaloff>./../../resources/base/icons/undo.png</normaloff>./../../resources/base/icons/undo.png</iconset>
+    </property>
+   <property name="text">
+    <string>Undo</string>
+   </property>
+  </action>
+  <action name="actionRedo">
+    <property name="enabled">
+      <bool>false</bool>
+    </property>
+    <property name="icon">
+      <iconset>
+      <normaloff>./../../resources/base/icons/redo.png</normaloff>./../../resources/base/icons/redo.png</iconset>
+    </property>
+   <property name="text">
+    <string>Redo</string>
+   </property>
+  </action>
+  <action name="actionViewComponentSelector">
+   <property name="checkable">
+    <bool>true</bool>
+   </property>
+   <property name="checked">
+    <bool>true</bool>
+   </property>
+   <property name="text">
+    <string>Component Selector</string>
+   </property>
+  </action>
+  <action name="actionViewMessageBrowser">
+   <property name="checkable">
+    <bool>true</bool>
+   </property>
+   <property name="checked">
+    <bool>true</bool>
+   </property>
+   <property name="text">
+    <string>Message Browser</string>
+   </property>
+  </action>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>