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More_Info:
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['1 . Appearance 无味的White 晶体 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）1585 ', '4 . Melting point（ºC）162-164 ', '5 晶相相标准. Combustion heat(焓)(kJ·mol-1)-23388 ', '6 晶相标准声称热(焓)( kJ·mol-1)-10579 ', '7 . Refractive indexn20/D 1585 ', '8 . Flash point（ºC） Unknow ', '9 . Specific rotation（º）-1035 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Water 20ºC ，1M，澄清，无味']
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Computational_Chemistry:
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['1 . XlogP -25 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 902 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 117 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 4 ', '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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