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Computational_Chemistry:
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['1 . XlogP 45 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 0 ', '6 . Heavy Atom Count 14 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 174 ', '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 White 有光泽并发荧光的片状晶体 2 ', '相对. Density(d ', '4 ', '4) 098 3 相对. Density（25℃，4℃）1058 ', '100 4 . Melting point（ºC）100 ', '5 . Boiling point（ºC,Atmospheric pressure）340 6 . Boiling point（ºC,16kPa）210-215℃ 7 . Refractive index ', '(n ', '20 ', 'D) 15943 8 晶相相标准. Combustion heat(焓)(kJ·mol ', '-1)-705448 ', '9 晶相标准声称热(焓)( kJ·mol-1)11619 ', '10 . Spontaneous ignition point or ignition temperature（ºC）185 ', '11 溶度参数(J·cm-3)0520067 ', '12 van der Waals面积（cm2·mol-1）1084×1010 ', '13 van der Waals体积（cm3·mol-1）99560 ', '14 . Critical temperature（K）59585 ', '15 晶相标准熵(J·mol-1·K-1) 21506 ', '16 晶相标准生成自由能( kJ·mol-1)27068 ', '17 晶相标准热熔(J·mol-1·K-1)22062 ', '18 . Lower limit of explosion（%,V/V）504 ', '19 . Solubility Insoluble in Water ，稍Soluble in Ethanol ，能Soluble in Ethyl ether 冰醋酸苯四氯化碳and 二硫化碳等 ', '20气相标准. Combustion heat(焓)(kJ·mol-1)-71458 ', '21 气相标准声称热(焓)( kJ·mol-1) 2075 ', '22 气相标准熵(J·mol-1·K-1) 39586 ', '23 气相标准生成自由能( kJ·mol-1)3082 ', '24 气相标准热熔(J·mol-1·K-1)1857']
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