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Computational_Chemistry:
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['1 . XlogP 68 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 13 ', '5 . TPSA 202 ', '6 . Heavy Atom Count 16 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 112 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance Colourless 结晶。 ', '2 . Density（g/mL,25/4℃）08347 ', '3 相对. Density（20℃，4℃）0838d ', '4 . Melting point（ºC）439 ', '5 . Boiling point（ºC,Atmospheric pressure）300 ', '6 常温. Refractive index（n25）1440850 ', '7 常温. Refractive index（n20）1448d ', '8 . Flash point（ºC）112 ', '9 溶度参数(J·cm-3)0519810 ', '10van der Waals面积（cm2·mol-1）2248×1010 ', '11van der Waals体积（cm3·mol-1）164930 ', '12 晶相相标准. Combustion heat(焓)(kJ·mol-1)-98177 ', '13 晶相标准声称热(焓)( kJ·mol-1)-6582 ', '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 Ethanol Ethyl ether ，Insoluble in Water 。']
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