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1-methyl-1-ethylcyclopentane.json
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{
"LibraryIndex": {
"name": "Index",
"value": [
116.0
]
},
"CompoundID": {
"name": "Name",
"value": [
"1-methyl-1-ethylcyclopentane"
]
},
"StructureFormula": {
"name": "Structure",
"value": [
"-C(CH3)(C2H5)CH2CH2CH2CH2-"
]
},
"Family": {
"name": "Family",
"value": [
6.0
]
},
"CriticalTemperature": {
"name": "Critical temperature",
"units": "K",
"value": [
582.0
]
},
"CriticalPressure": {
"name": "Critical pressure",
"units": "Pa",
"value": [
3020000.0
]
},
"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": [
112.2126
]
},
"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": [
15840.0
]
},
"DipoleMoment": {
"name": "Dipole moment",
"units": "Coulomb.m",
"value": [
0.0
]
},
"VanDerWaalsVolume": {
"name": "Van der Waals volume",
"units": "m3/kmol",
"value": [
0.08182
]
},
"VanDerWaalsArea": {
"name": "Van der Waals area",
"units": "m2/kmol",
"value": [
1099000000.0
]
},
"HeatOfFormation": {
"name": "IG heat of formation",
"units": "J/kmol",
"value": [
-154900000.0
]
},
"GibbsEnergyOfFormation": {
"name": "IG Gibbs energy of formation",
"units": "J/kmol",
"value": [
50670000.0
]
},
"AbsEntropy": {
"name": "IG absolute entropy",
"units": "J/kmol/K",
"value": [
401000.0
]
},
"HeatOfFusionAtMeltingPoint": {
"name": "Heat of fusion at melting point",
"units": "J/kmol",
"value": [
0.0
]
},
"HeatOfCombustion": {
"name": "Standard net heat of combustion LHV",
"units": "J/kmol",
"value": [
-4889210000.0
]
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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": "465.6"
}
},
"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"
}
},
"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"
}
},
"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": "129.35"
},
"Tmax": {
"units": "K",
"value": "1000"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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"
}
},
"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": [
0.0
]
},
"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": [
15840.0
]
},
"ChaoSeaderLiquidVolume": {
"name": "Chao-Seader liquid volume",
"units": "m3/kmol",
"value": [
0.144502
]
},
"UnifacVLE": {
"name": "UNIFAC",
"group": [
{
"id": "1",
"value": "2"
},
{
"id": "2",
"value": "5"
},
{
"id": "4",
"value": "1"
}
]
},
"UnifacLLE": {
"name": "UNIFAC-LLE",
"group": [
{
"id": "1",
"value": "2"
},
{
"id": "2",
"value": "5"
},
{
"id": "4",
"value": "1"
}
]
},
"Asog": {
"name": "ASOG",
"group": [
{
"id": "1",
"value": "2"
},
{
"id": "2",
"value": "5"
},
{
"id": "4",
"value": "1"
}
]
},
"GCmethod": {
"name": "PPR78",
"group": [
{
"id": "1",
"value": "2"
},
{
"id": "2",
"value": "1"
},
{
"id": "4",
"value": "1"
},
{
"id": "10",
"value": "4"
}
]
},
"Umr": {
"name": "UMR",
"group": [
{
"id": "1",
"value": "2"
},
{
"id": "2",
"value": "5"
},
{
"id": "4",
"value": "1"
}
]
},
"ModifiedUnifac": {
"name": "Modified UNIFAC",
"group": [
{
"id": "1",
"value": "2"
},
{
"id": "78",
"value": "5"
},
{
"id": "80",
"value": "1"
}
]
},
"CAS": {
"name": "CAS number",
"value": [
"16747-50-5"
]
},
"Smiles": {
"name": "SMILES",
"value": [
"C1CCCC1(C)(CC)"
]
}
}