1,1-dimethylcyclohexane.json

{
    "LibraryIndex": {
        "name": "Index",
        "value": [
            141.0
        ]
    },
    "CompoundID": {
        "name": "Name",
        "value": [
            "1,1-dimethylcyclohexane"
        ]
    },
    "StructureFormula": {
        "name": "Structure",
        "value": [
            "-C(CH3)2(CH2)5-"
        ]
    },
    "Family": {
        "name": "Family",
        "value": [
            7.0
        ]
    },
    "CriticalTemperature": {
        "name": "Critical temperature",
        "units": "K",
        "value": [
            591.15
        ]
    },
    "CriticalPressure": {
        "name": "Critical pressure",
        "units": "Pa",
        "value": [
            2938430.0
        ]
    },
    "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": [
            112.2126
        ]
    },
    "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": [
            15670.0
        ]
    },
    "DipoleMoment": {
        "name": "Dipole moment",
        "units": "Coulomb.m",
        "value": [
            0.0
        ]
    },
    "VanDerWaalsVolume": {
        "name": "Van der Waals volume",
        "units": "m3/kmol",
        "value": [
            0.08068
        ]
    },
    "VanDerWaalsArea": {
        "name": "Van der Waals area",
        "units": "m2/kmol",
        "value": [
            1042000000.0
        ]
    },
    "HeatOfFormation": {
        "name": "IG heat of formation",
        "units": "J/kmol",
        "value": [
            -181000000.0
        ]
    },
    "GibbsEnergyOfFormation": {
        "name": "IG Gibbs energy of formation",
        "units": "J/kmol",
        "value": [
            35229300.0
        ]
    },
    "AbsEntropy": {
        "name": "IG absolute entropy",
        "units": "J/kmol/K",
        "value": [
            365012.0
        ]
    },
    "HeatOfFusionAtMeltingPoint": {
        "name": "Heat of fusion at melting point",
        "units": "J/kmol",
        "value": [
            2020870.0
        ]
    },
    "MatthiasCopemanC1": {
        "name": "Mathias-Copeman C1",
        "units": "_",
        "value": [
            0.80822
        ]
    },
    "HeatOfCombustion": {
        "name": "Standard net heat of combustion LHV",
        "units": "J/kmol",
        "value": [
            -4863900000.0
        ]
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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": "472.92"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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": "239.66"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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"
        }
    },
    "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": [
            0.0
        ]
    },
    "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": [
            15670.0
        ]
    },
    "ChaoSeaderLiquidVolume": {
        "name": "Chao-Seader liquid volume",
        "units": "m3/kmol",
        "value": [
            0.144469
        ]
    },
    "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": "4",
                "value": "1"
            },
            {
                "id": "10",
                "value": "5"
            }
        ]
    },
    "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": [
            "590-66-9"
        ]
    },
    "Smiles": {
        "name": "SMILES",
        "value": [
            "C1CCCCC1(C)(C)"
        ]
    }
}