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Molecular_Structure:
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['1 . Molar refractive index 9724 ', '2 . Molar volume （m3/mol）3055 ', '3 . Parachor （902K）8117 ', '4 . Surface tension 498 5 . Polarizability （ 10', '-24cm', '3 ） 3855 6性状白色至浅黄色粉末 ', '7溶解度20毫克/毫升溶于']
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LogP:
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3.56
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Flash_Point:
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289.2±24.7 °C
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Refractive_Index:
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1.549
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FW:
|
336.466
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Density:
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1.1±0.1 g/cm3
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Bolling_Point:
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531.4±43.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 4 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 13 ', '5 . Isotope Atom Count 7 ', '6 . TPSA 746 ', '7 . Heavy Atom Count 24 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 462 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 1 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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PSA:
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74.60000
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MF:
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C20H32O4
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More_Info:
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['1 . Appearance Yellow 结晶。对光敏感。 2 . Density（ g/mL,25/4 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ ºC ）30~34 5 . Boiling point（ ºC, Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '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 20mg/mL']
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Vapor_Pressure:
|
0.0±3.2 mmHg at 25°C
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|
Exact_Mass:
|
336.230072
|
