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More_Info:
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['1 . Appearance 外观为White to 微Yellow 单斜棱晶针状结晶or 粉末。 ', '2 . Density（g/mL,25/4℃） （d1106/4）1225 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）1065 ', '5 . Boiling point（ºC,Atmospheric pressure）3571， 225ºC(1333kPa) ', '6常温. Refractive index（n25）14303100 ', '7 . Refractive index(n111D)14303 ', '8 . Flash point（ºC）210 ', '9 晶相相标准. Combustion heat(焓)(kJ·mol-1)-477394 ', '12 晶相标准声称热(焓)( kJ·mol-1)-105428 ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）57085 ', '15 . Critical pressure（MPa）272 ', '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 易Soluble in 热Water 醇及热苯，微Soluble in Water 醚and 苯。']
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Computational_Chemistry:
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['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count ', '6 . TPSA 746 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 147 ', '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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