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Computational_Chemistry:
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['1. XlogP 03 ', '2. Hydrogen Bond Donor Count 1 ', '3. Hydrogen Bond Acceptor Count 2 ', '4. Rotatable Bond Count 1 ', '5. TPSA 373 ', '6. Heavy Atom Count 5 ', '7. Topological Polar Surface Area 0 ', '8. Complexity 402 ', '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 油状Liquid ，有刺激性气味。 ', '2. Melting point（℃）-215 ', '3. Boiling point（℃）1411 ', '4相对. Density（Water =1）099 ', '5相对蒸气. Density（Atmosphere =1）256 ', '6. Saturated vapor pressure（kPa）133（397℃） ', '7. Combustion heat（kJ/mol）-15258 ', '8. Critical temperature（℃）339 ', '9. Critical pressure（MPa）453 ', '10Octanol /Water 分配系数025~033 ', '11. Flash point（℃）54（CC） ', '12引燃温度（℃）485 ', '13. Upper limit of explosion（%）149 ', '14. Lower limit of explosion（%）30 ', '15. Solubility 与Water 混溶，可混Soluble in Ethanol Ethyl ether 氯仿。 ', '16. Refractive index（n20ºC）13848 ', '17. Refractive index（n25ºC）13843 ', '18黏度（mPa·s,15ºC）1175 ', '19黏度（mPa·s,30ºC）0958 ', '20. Flash point（ºC）51 ', '21蒸发热（KJ/mol,25ºC）5493 ', '22蒸发热（KJ/mol,bp）3231 ', '23熔化热（KJ/mol）754 ', '24生成热（KJ/mol,25ºC,Liquid ）-51129 ', '25比热容（KJ/(kg·K),20ºC,定压）208 ', '26热导率（W/(m·K),20ºC）288854 ', '27热导率（W/(m·K),60ºC）234337 ', '28热导率（W/(m·K),100ºC）190204 ', '29体膨胀系数（K-1,20ºC）110×10-3 ', '30体膨胀系数（K-1,55ºC）114×10-3 ', '31体膨胀系数（K-1,100ºC）162×10-3 ', '32临界. Density（g·cm-3）0318 ', '33临界体积（cm3·mol-1）233 ', '34临界压缩因子0219 ', '35偏心因子02536 ', '36溶度参数(J·cm-3)0519459 ', '37van der Waals面积（cm2·mol-1）6530×109 ', '38van der Waals体积（cm3·mol-1）43420 ', '39气相标准. Combustion heat(焓)(kJ·mol-1)-15845 ', '40气相标准声称热(焓)( kJ·mol-1) -4535 ', '41液相标准. Combustion heat(焓)(kJ·mol-1)-15273 ', '42液相标准声称热(焓)( kJ·mol-1)-5107 ', '43液相标准热熔(J·mol-1·K-1)1584']
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