2-methyl-1-heptene.json

{
    "LibraryIndex": {
        "name": "Index",
        "value": [
            2252.0
        ]
    },
    "CompoundID": {
        "name": "Name",
        "value": [
            "2-methyl-1-heptene"
        ]
    },
    "StructureFormula": {
        "name": "Structure",
        "value": [
            "CH2C(CH3)CH2(CH2)3CH3"
        ]
    },
    "Family": {
        "name": "Family",
        "value": [
            11.0
        ]
    },
    "CriticalTemperature": {
        "name": "Critical temperature",
        "units": "K",
        "value": [
            564.0
        ]
    },
    "CriticalPressure": {
        "name": "Critical pressure",
        "units": "Pa",
        "value": [
            2400000.0
        ]
    },
    "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": [
            112.2126
        ]
    },
    "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": [
            15180.0
        ]
    },
    "DipoleMoment": {
        "name": "Dipole moment",
        "units": "Coulomb.m",
        "value": [
            0.0
        ]
    },
    "VanDerWaalsVolume": {
        "name": "Van der Waals volume",
        "units": "m3/kmol",
        "value": [
            0.08521
        ]
    },
    "VanDerWaalsArea": {
        "name": "Van der Waals area",
        "units": "m2/kmol",
        "value": [
            1211000000.0
        ]
    },
    "HeatOfFormation": {
        "name": "IG heat of formation",
        "units": "J/kmol",
        "value": [
            -96990000.0
        ]
    },
    "GibbsEnergyOfFormation": {
        "name": "IG Gibbs energy of formation",
        "units": "J/kmol",
        "value": [
            93200000.0
        ]
    },
    "AbsEntropy": {
        "name": "IG absolute entropy",
        "units": "J/kmol/K",
        "value": [
            457800.0
        ]
    },
    "HeatOfFusionAtMeltingPoint": {
        "name": "Heat of fusion at melting point",
        "units": "J/kmol",
        "value": [
            14400000.0
        ]
    },
    "HeatOfCombustion": {
        "name": "Standard net heat of combustion LHV",
        "units": "J/kmol",
        "value": [
            -4948000000.0
        ]
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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": "555"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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": "185.77"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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": [
            0.0
        ]
    },
    "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": [
            15180.0
        ]
    },
    "ChaoSeaderLiquidVolume": {
        "name": "Chao-Seader liquid volume",
        "units": "m3/kmol",
        "value": [
            0.156655
        ]
    },
    "UnifacVLE": {
        "name": "UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "4"
            },
            {
                "id": "7",
                "value": "1"
            }
        ]
    },
    "UnifacLLE": {
        "name": "UNIFAC-LLE",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "4"
            },
            {
                "id": "8",
                "value": "1"
            }
        ]
    },
    "Asog": {
        "name": "ASOG",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "4"
            },
            {
                "id": "7",
                "value": "1"
            }
        ]
    },
    "GCmethod": {
        "name": "PPR78",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "5"
            },
            {
                "id": "19",
                "value": "1"
            }
        ]
    },
    "Umr": {
        "name": "UMR",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "4"
            },
            {
                "id": "7",
                "value": "1"
            }
        ]
    },
    "ModifiedUnifac": {
        "name": "Modified UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "2"
            },
            {
                "id": "2",
                "value": "4"
            },
            {
                "id": "7",
                "value": "1"
            }
        ]
    },
    "CAS": {
        "name": "CAS number",
        "value": [
            "15870-10-7"
        ]
    },
    "Smiles": {
        "name": "SMILES",
        "value": [
            "C=C(C)CCCCC"
        ]
    }
}