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1,2,3-trimethylbenzene.json
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{
"LibraryIndex": {
"name": "Index",
"value": [
514.0
]
},
"CompoundID": {
"name": "Name",
"value": [
"1,2,3-trimethylbenzene"
]
},
"StructureFormula": {
"name": "Structure",
"value": [
"(C6H3)(CH3)3"
]
},
"Family": {
"name": "Family",
"value": [
10.0
]
},
"CriticalTemperature": {
"name": "Critical temperature",
"units": "K",
"value": [
664.5
]
},
"CriticalPressure": {
"name": "Critical pressure",
"units": "Pa",
"value": [
3454000.0
]
},
"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": [
120.1916
]
},
"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": [
18480.0
]
},
"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": [
1026000000.0
]
},
"HeatOfFormation": {
"name": "IG heat of formation",
"units": "J/kmol",
"value": [
-9568810.0
]
},
"GibbsEnergyOfFormation": {
"name": "IG Gibbs energy of formation",
"units": "J/kmol",
"value": [
124400000.0
]
},
"AbsEntropy": {
"name": "IG absolute entropy",
"units": "J/kmol/K",
"value": [
380500.0
]
},
"HeatOfFusionAtMeltingPoint": {
"name": "Heat of fusion at melting point",
"units": "J/kmol",
"value": [
8170000.0
]
},
"MatthiasCopemanC1": {
"name": "Mathias-Copeman C1",
"units": "_",
"value": [
1.1114
]
},
"HeatOfCombustion": {
"name": "Standard net heat of combustion LHV",
"units": "J/kmol",
"value": [
-4933940000.0
]
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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": "550"
}
},
"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"
}
},
"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"
}
},
"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": "247.79"
},
"Tmax": {
"units": "K",
"value": "1000"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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": [
0.0
]
},
"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": [
18480.0
]
},
"ChaoSeaderLiquidVolume": {
"name": "Chao-Seader liquid volume",
"units": "m3/kmol",
"value": [
0.13322
]
},
"UnifacVLE": {
"name": "UNIFAC",
"group": [
{
"id": "10",
"value": "3"
},
{
"id": "12",
"value": "3"
}
]
},
"UnifacLLE": {
"name": "UNIFAC-LLE",
"group": [
{
"id": "9",
"value": "3"
},
{
"id": "11",
"value": "3"
}
]
},
"Asog": {
"name": "ASOG",
"group": [
{
"id": "1",
"value": "3"
},
{
"id": "10",
"value": "3"
},
{
"id": "11",
"value": "3"
}
]
},
"GCmethod": {
"name": "PPR78",
"group": [
{
"id": "7",
"value": "3"
},
{
"id": "8",
"value": "3"
},
{
"id": "1",
"value": "3"
}
]
},
"Umr": {
"name": "UMR",
"group": [
{
"id": "10",
"value": "3"
},
{
"id": "12",
"value": "3"
}
]
},
"ModifiedUnifac": {
"name": "Modified UNIFAC",
"group": [
{
"id": "9",
"value": "3"
},
{
"id": "11",
"value": "3"
}
]
},
"CAS": {
"name": "CAS number",
"value": [
"526-73-8"
]
},
"Smiles": {
"name": "SMILES",
"value": [
"c1(C)c(C)c(C)ccc1"
]
}
}