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Molecular_Structure:
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['1 . Molar refractive index 10716 ', '2 . Molar volume （m3/mol）2417 ', '3 . Parachor （902K）8417 ', '4 . Surface tension : 1468 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 4248']
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Flash_Point:
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240.7±28.7 °C
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Refractive_Index:
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1.579
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FW:
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317.336
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Density:
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1.3±0.1 g/cm3
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Bolling_Point:
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474.3±45.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 05 ', '2 . Hydrogen Bond Donor Count 9 ', '3 . Hydrogen Bond Acceptor Count 13 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 600 ', '6 . TPSA 243 ', '7 . Heavy Atom Count 35 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 864 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 5 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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LogP:
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2.10
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Melting_Point:
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136ºC dec
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PSA:
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242.51000
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MF:
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C22H20O13
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More_Info:
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['1 . Appearance 质地细腻紧密的粉块，色泽明亮均匀。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC） Unknow ', '15 . Critical pressure（KPa） Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility Soluble in Water 。']
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Vapor_Pressure:
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0.0±1.2 mmHg at 25°C
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Exact_Mass:
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317.126312
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