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More_Info:
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['1 . Appearance White 粗粉末, 易升华。 ', '2 . Density（g/mL,25℃）1544 ', '3 相对. Density（20℃，4℃）1544 ', '4 . Melting point（ºC）142 ', '5 . Boiling point（ºC,Atmospheric pressure）285 ', '6 相对. Density（25℃，4℃）15355 ', '7 气相标准声称热(焓)( kJ·mol-1) -3250 ', '8 . Flash point（ºC）173 ', '9 晶相标准声称热(焓)( kJ·mol-1)-4045 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 Insoluble in Water ，Soluble in 甲醇无Water Ethanol Ethyl ether 。']
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Computational_Chemistry:
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['1 . XlogP 21 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 136 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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