1,2-propylene oxide.json

{
    "LibraryIndex": {
        "name": "Index",
        "value": [
            1442.0
        ]
    },
    "CompoundID": {
        "name": "Name",
        "value": [
            "1,2-propylene oxide"
        ]
    },
    "StructureFormula": {
        "name": "Structure",
        "value": [
            "CH3-CHCH2O-"
        ]
    },
    "Family": {
        "name": "Family",
        "value": [
            63.0
        ]
    },
    "CriticalTemperature": {
        "name": "Critical temperature",
        "units": "K",
        "value": [
            482.25
        ]
    },
    "CriticalPressure": {
        "name": "Critical pressure",
        "units": "Pa",
        "value": [
            4920000.0
        ]
    },
    "CriticalVolume": {
        "name": "Critical volume",
        "units": "m3/kmol",
        "value": [
            0.186
        ]
    },
    "CriticalCompressibility": {
        "name": "Critical compressibility factor",
        "units": "_",
        "value": [
            0.228
        ]
    },
    "NormalBoilingPointTemperature": {
        "name": "Normal boiling point",
        "units": "K",
        "value": [
            307.05
        ]
    },
    "NormalMeltingPointTemperature": {
        "name": "Melting point",
        "units": "K",
        "value": [
            161.22
        ]
    },
    "TriplePointTemperature": {
        "name": "Triple point temperature",
        "units": "K",
        "value": [
            161.22
        ]
    },
    "TriplePointPressure": {
        "name": "Triple point pressure",
        "units": "Pa",
        "value": [
            0.965624
        ]
    },
    "MolecularWeight": {
        "name": "Molecular weight",
        "units": "kg/kmol",
        "value": [
            58.07804
        ]
    },
    "LiquidVolumeAtNormalBoilingPoint": {
        "name": "Liquid molar volume at normal boiling point",
        "units": "m3/kmol",
        "value": [
            0.0705481
        ]
    },
    "AcentricityFactor": {
        "name": "Acentric factor",
        "units": "_",
        "value": [
            0.268304
        ]
    },
    "RadiusOfGyration": {
        "name": "Radius of gyration",
        "units": "m",
        "value": [
            2.66e-10
        ]
    },
    "SolubilityParameter": {
        "name": "Solubility parameter",
        "units": "J0.5/m1.5",
        "value": [
            19050.0
        ]
    },
    "DipoleMoment": {
        "name": "Dipole moment",
        "units": "Coulomb.m",
        "value": [
            6.7e-30
        ]
    },
    "VanDerWaalsVolume": {
        "name": "Van der Waals volume",
        "units": "m3/kmol",
        "value": [
            0.0344
        ]
    },
    "VanDerWaalsArea": {
        "name": "Van der Waals area",
        "units": "m2/kmol",
        "value": [
            464000000.0
        ]
    },
    "HeatOfFormation": {
        "name": "IG heat of formation",
        "units": "J/kmol",
        "value": [
            -93720000.0
        ]
    },
    "GibbsEnergyOfFormation": {
        "name": "IG Gibbs energy of formation",
        "units": "J/kmol",
        "value": [
            -25800000.0
        ]
    },
    "AbsEntropy": {
        "name": "IG absolute entropy",
        "units": "J/kmol/K",
        "value": [
            286700.0
        ]
    },
    "HeatOfFusionAtMeltingPoint": {
        "name": "Heat of fusion at melting point",
        "units": "J/kmol",
        "value": [
            6531000.0
        ]
    },
    "MatthiasCopemanC1": {
        "name": "Mathias-Copeman C1",
        "units": "_",
        "value": [
            0.95094
        ]
    },
    "HeatOfCombustion": {
        "name": "Standard net heat of combustion LHV",
        "units": "J/kmol",
        "value": [
            -1790000000.0
        ]
    },
    "SolidDensity": {
        "name": "Solid density",
        "units": "kmol/m3",
        "eqno": {
            "value": "2"
        },
        "A": {
            "value": "21.358"
        },
        "B": {
            "value": "-0.014706"
        },
        "C": {
            "value": "0"
        },
        "D": {
            "value": "0"
        },
        "E": {
            "value": "0"
        },
        "Tmin": {
            "units": "K",
            "value": "64.49"
        },
        "Tmax": {
            "units": "K",
            "value": "161.22"
        }
    },
    "LiquidDensity": {
        "name": "Liquid density",
        "units": "kmol/m3",
        "eqno": {
            "value": "105"
        },
        "A": {
            "value": "1.5769"
        },
        "B": {
            "value": "0.28598"
        },
        "C": {
            "value": "482.25"
        },
        "D": {
            "value": "0.29139"
        },
        "Tmin": {
            "units": "K",
            "value": "161.22"
        },
        "Tmax": {
            "units": "K",
            "value": "482.25"
        }
    },
    "VaporPressure": {
        "name": "Vapour pressure",
        "units": "Pa",
        "eqno": {
            "value": "101"
        },
        "A": {
            "value": "83.693"
        },
        "B": {
            "value": "-5715.8"
        },
        "C": {
            "value": "-9.522"
        },
        "D": {
            "value": "0.00001033"
        },
        "E": {
            "value": "2"
        },
        "Tmin": {
            "units": "K",
            "value": "161.22"
        },
        "Tmax": {
            "units": "K",
            "value": "482.25"
        }
    },
    "HeatOfVaporization": {
        "name": "Heat of vaporization",
        "units": "J/kmol",
        "eqno": {
            "value": "106"
        },
        "A": {
            "value": "5.241305E+07"
        },
        "B": {
            "value": "1.339985"
        },
        "C": {
            "value": "-1.496096"
        },
        "D": {
            "value": "0.72766"
        },
        "E": {
            "value": "-0.151947"
        },
        "Tmin": {
            "units": "K",
            "value": "161.22"
        },
        "Tmax": {
            "units": "K",
            "value": "482.25"
        }
    },
    "SolidHeatCapacityCp": {
        "name": "Solid heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "100"
        },
        "A": {
            "value": "-22780"
        },
        "B": {
            "value": "1901.9"
        },
        "C": {
            "value": "-20.601"
        },
        "D": {
            "value": "0.11819"
        },
        "E": {
            "value": "-0.00025907"
        },
        "Tmin": {
            "units": "K",
            "value": "25"
        },
        "Tmax": {
            "units": "K",
            "value": "161.25"
        }
    },
    "LiquidHeatCapacityCp": {
        "name": "Liquid heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "78704"
        },
        "B": {
            "value": "274.26"
        },
        "C": {
            "value": "7.2963"
        },
        "D": {
            "value": "0.0088641"
        },
        "E": {
            "value": "-0.0000023407"
        },
        "Tmin": {
            "units": "K",
            "value": "161.22"
        },
        "Tmax": {
            "units": "K",
            "value": "433.15"
        }
    },
    "IdealGasHeatCapacityCp": {
        "name": "Ideal gas heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "42195"
        },
        "B": {
            "value": "-578.73"
        },
        "C": {
            "value": "12.252"
        },
        "D": {
            "value": "0.00010777"
        },
        "E": {
            "value": "-4.7082E-08"
        },
        "Tmin": {
            "units": "K",
            "value": "150"
        },
        "Tmax": {
            "units": "K",
            "value": "1500"
        }
    },
    "SecondVirialCoefficient": {
        "name": "Second virial coefficient",
        "units": "m3/kmol",
        "eqno": {
            "value": "104"
        },
        "A": {
            "value": "0.068785"
        },
        "B": {
            "value": "-9.8409"
        },
        "C": {
            "value": "-37.616"
        },
        "D": {
            "value": "14983"
        },
        "E": {
            "value": "-36794"
        },
        "Tmin": {
            "units": "K",
            "value": "241.12"
        },
        "Tmax": {
            "units": "K",
            "value": "1543.13"
        }
    },
    "LiquidViscosity": {
        "name": "Liquid viscosity",
        "units": "Pa.s",
        "eqno": {
            "value": "101"
        },
        "A": {
            "value": "20.905"
        },
        "B": {
            "value": "283.5"
        },
        "C": {
            "value": "-5.5156"
        },
        "D": {
            "value": "0.000016261"
        },
        "E": {
            "value": "2"
        },
        "Tmin": {
            "units": "K",
            "value": "200"
        },
        "Tmax": {
            "units": "K",
            "value": "382"
        }
    },
    "VaporViscosity": {
        "name": "Vapour viscosity",
        "units": "Pa.s",
        "eqno": {
            "value": "102"
        },
        "A": {
            "value": "1.1059E-07"
        },
        "B": {
            "value": "0.81831"
        },
        "C": {
            "value": "109.91"
        },
        "D": {
            "value": "-5863.4"
        },
        "Tmin": {
            "units": "K",
            "value": "161.22"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "LiquidThermalConductivity": {
        "name": "Liquid thermal conductivity",
        "units": "W/m/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "0.10066"
        },
        "B": {
            "value": "294.75"
        },
        "C": {
            "value": "-5.9561"
        },
        "D": {
            "value": "0.019433"
        },
        "E": {
            "value": "-0.000039547"
        },
        "Tmin": {
            "units": "K",
            "value": "161.22"
        },
        "Tmax": {
            "units": "K",
            "value": "385.8"
        }
    },
    "VaporThermalConductivity": {
        "name": "Vapour thermal conductivity",
        "units": "W/m/K",
        "eqno": {
            "value": "102"
        },
        "A": {
            "value": "0.00022671"
        },
        "B": {
            "value": "0.95467"
        },
        "C": {
            "value": "579.31"
        },
        "D": {
            "value": "32798"
        },
        "Tmin": {
            "units": "K",
            "value": "161.22"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "SurfaceTension": {
        "name": "Surface tension",
        "units": "N/m",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "-0.015763"
        },
        "B": {
            "value": "49.046"
        },
        "C": {
            "value": "-3.1007"
        },
        "D": {
            "value": "0.001104"
        },
        "E": {
            "value": "-0.0000073634"
        },
        "Tmin": {
            "units": "K",
            "value": "161.22"
        },
        "Tmax": {
            "units": "K",
            "value": "482.25"
        }
    },
    "RPPHeatCapacityCp": {
        "name": "Ideal gas heat capacity (RPP)",
        "units": "J/kmol/K",
        "eqno": {
            "value": "4"
        },
        "A": {
            "value": "8474.7"
        },
        "B": {
            "value": "248.13"
        },
        "C": {
            "value": "-0.09863"
        },
        "D": {
            "value": "0.0000096523"
        },
        "Tmin": {
            "units": "K",
            "value": "150"
        },
        "Tmax": {
            "units": "K",
            "value": "1500"
        }
    },
    "AntoineVaporPressure": {
        "name": "Antoine",
        "units": "Pa",
        "eqno": {
            "value": "10"
        },
        "A": {
            "value": "21.382"
        },
        "B": {
            "value": "2709.9"
        },
        "C": {
            "value": "-32.425"
        },
        "Tmin": {
            "units": "K",
            "value": "290.2"
        },
        "Tmax": {
            "units": "K",
            "value": "433.15"
        }
    },
    "LiquidViscosityRPS": {
        "name": "Liquid viscosity (RPS)",
        "units": "Pa.s",
        "eqno": {
            "value": "12"
        },
        "A": {
            "value": "-2.8854"
        },
        "B": {
            "value": "-0.017723"
        },
        "Tmin": {
            "units": "K",
            "value": "200"
        },
        "Tmax": {
            "units": "K",
            "value": "313.15"
        }
    },
    "COSTALDVolume": {
        "name": "COSTLD characteristic volume (V*)",
        "units": "m3/kmol",
        "value": [
            0.182307
        ]
    },
    "DiameterLJ": {
        "name": "Lennard Jones diameter",
        "units": "m",
        "value": [
            6.279053e-10
        ]
    },
    "EnergyLJ": {
        "name": "Lennard Jones energy",
        "units": "K",
        "value": [
            153.7272
        ]
    },
    "RacketParameter": {
        "name": "Rackett parameter",
        "units": "_",
        "value": [
            0.248811
        ]
    },
    "FullerVolume": {
        "name": "Fuller et al. diffusion volume",
        "units": "_",
        "value": [
            67.67
        ]
    },
    "MatthiasCopemanC2": {
        "name": "Mathias-Copeman C2",
        "units": "_",
        "value": [
            -1.02
        ]
    },
    "Parachor": {
        "name": "Parachor",
        "units": "kg0.25.m3/s0.5/kmol",
        "value": [
            0.0273464
        ]
    },
    "SpecificGravity": {
        "name": "Specific gravity",
        "units": "_",
        "value": [
            0.836764
        ]
    },
    "Charge": {
        "name": "Charge",
        "units": "_",
        "value": [
            0.0
        ]
    },
    "CostaldAcentricFactor": {
        "name": "SRK acentric factor",
        "units": "_",
        "value": [
            0.268304
        ]
    },
    "WilsonVolume": {
        "name": "Wilson volume",
        "units": "m3/kmol",
        "value": [
            0.0705481
        ]
    },
    "UniquacR": {
        "name": "UNIQUAC r",
        "units": "_",
        "value": [
            2.2663
        ]
    },
    "UniquacQ": {
        "name": "UNIQUAC q",
        "units": "_",
        "value": [
            1.856
        ]
    },
    "MatthiasCopemanC3": {
        "name": "Mathias-Copeman C3",
        "units": "_",
        "value": [
            3.24763
        ]
    },
    "ChaoSeaderAcentricFactor": {
        "name": "Chao-Seader acentric factor",
        "units": "_",
        "value": [
            0.268304
        ]
    },
    "ChaoSeaderSolubilityParameter": {
        "name": "Chao-Seader solubility parameter",
        "units": "J0.5/m1.5",
        "value": [
            19050.0
        ]
    },
    "ChaoSeaderLiquidVolume": {
        "name": "Chao-Seader liquid volume",
        "units": "m3/kmol",
        "value": [
            0.0705481
        ]
    },
    "UnifacVLE": {
        "name": "UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "1"
            },
            {
                "id": "122",
                "value": "1"
            }
        ]
    },
    "UnifacLLE": {
        "name": "UNIFAC-LLE",
        "group": [
            {
                "id": "1",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "28",
                "value": "1"
            }
        ]
    },
    "Asog": {
        "name": "ASOG",
        "group": [
            {
                "id": "1",
                "value": "1"
            },
            {
                "id": "2",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "19",
                "value": "1"
            }
        ]
    },
    "Umr": {
        "name": "UMR",
        "group": [
            {
                "id": "1",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "26",
                "value": "1"
            }
        ]
    },
    "ModifiedUnifac": {
        "name": "Modified UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "25",
                "value": "1"
            }
        ]
    },
    "CAS": {
        "name": "CAS number",
        "value": [
            "75-56-9"
        ]
    },
    "Smiles": {
        "name": "SMILES",
        "value": [
            "CC1OC1"
        ]
    }
}