2-methyl-1-pentene.json

{
    "LibraryIndex": {
        "name": "Index",
        "value": [
            221.0
        ]
    },
    "CompoundID": {
        "name": "Name",
        "value": [
            "2-methyl-1-pentene"
        ]
    },
    "StructureFormula": {
        "name": "Structure",
        "value": [
            "CH2C(CH3)CH2CH2CH3"
        ]
    },
    "Family": {
        "name": "Family",
        "value": [
            11.0
        ]
    },
    "CriticalTemperature": {
        "name": "Critical temperature",
        "units": "K",
        "value": [
            507.0
        ]
    },
    "CriticalPressure": {
        "name": "Critical pressure",
        "units": "Pa",
        "value": [
            3160000.0
        ]
    },
    "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": [
            84.15948
        ]
    },
    "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": [
            15070.0
        ]
    },
    "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": [
            941000000.0
        ]
    },
    "HeatOfFormation": {
        "name": "IG heat of formation",
        "units": "J/kmol",
        "value": [
            -52258100.0
        ]
    },
    "GibbsEnergyOfFormation": {
        "name": "IG Gibbs energy of formation",
        "units": "J/kmol",
        "value": [
            72969000.0
        ]
    },
    "AbsEntropy": {
        "name": "IG absolute entropy",
        "units": "J/kmol/K",
        "value": [
            374000.0
        ]
    },
    "HeatOfFusionAtMeltingPoint": {
        "name": "Heat of fusion at melting point",
        "units": "J/kmol",
        "value": [
            7029120.0
        ]
    },
    "MatthiasCopemanC1": {
        "name": "Mathias-Copeman C1",
        "units": "_",
        "value": [
            0.94792
        ]
    },
    "HeatOfCombustion": {
        "name": "Standard net heat of combustion LHV",
        "units": "J/kmol",
        "value": [
            -3722090000.0
        ]
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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": "405.6"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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": "137.42"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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": [
            0.0
        ]
    },
    "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": [
            15070.0
        ]
    },
    "ChaoSeaderLiquidVolume": {
        "name": "Chao-Seader liquid volume",
        "units": "m3/kmol",
        "value": [
            0.124649
        ]
    },
    "UnifacVLE": {
        "name": "UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "2"
            },
            {
                "id": "7",
                "value": "1"
            }
        ]
    },
    "UnifacLLE": {
        "name": "UNIFAC-LLE",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "2"
            },
            {
                "id": "8",
                "value": "1"
            }
        ]
    },
    "Asog": {
        "name": "ASOG",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "2"
            },
            {
                "id": "7",
                "value": "1"
            }
        ]
    },
    "GCmethod": {
        "name": "PPR78",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "3"
            },
            {
                "id": "19",
                "value": "1"
            }
        ]
    },
    "Umr": {
        "name": "UMR",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "2"
            },
            {
                "id": "7",
                "value": "1"
            }
        ]
    },
    "ModifiedUnifac": {
        "name": "Modified UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "2"
            },
            {
                "id": "7",
                "value": "1"
            }
        ]
    },
    "CAS": {
        "name": "CAS number",
        "value": [
            "763-29-1"
        ]
    },
    "Smiles": {
        "name": "SMILES",
        "value": [
            "C=C(C)CCC"
        ]
    }
}