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Computational_Chemistry:
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['1 . XlogP 48 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 0 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 149 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '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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More_Info:
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['1 . Appearance Colourless 针状结晶 ', '2 . Density（g/mL,25℃）09707 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）124 ', '5 . Boiling point（ºC,Atmospheric pressure）3065 ', '6 . Boiling point（ºC, 16KPa）166-167 ', '7 . Refractive index(n17D) 16264 ', '8 溶度参数(J·cm-3)0519538 ', '9 van der Waals面积（cm2·mol-1）1276×1010 ', '10van der Waals体积（cm3·mol-1）108620 ', '11 . Vapor pressure（mmHg,20ºC）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 ，微Soluble in Ethanol ，可Soluble in 醚and 苯。能随Water 蒸气挥发']
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