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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :354 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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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More_Info:
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['1 . Appearance Colourless 黏稠状Liquid , 有强烈芳香气味。 ', '2 相对. Density（g/mL,20/4℃）08219 ', '3 . Melting point（ºC）-332 ', '4 . Boiling point（ºC,1013kPa）17645 ', '5 . Refractive index（n20ºC）14249 ', '6 . Flash point（ºC,闭口）73 ', '7 蒸发热（KJ/mol）21352 ', '8 生成热（KJ/mol）-40692 ', '9 . Combustion heat（KJ/mol）46352 ', '10 . Vapor pressure（kPa,424ºC）013 ', '11 . Combustion heat（KJ/mol）46185 ', '12 . Critical temperature（ºC）365 ', '13 热导率（W/(m·K),20ºC）1633 ', '14 凝固点（ºC）-35 ', '15 . Solubility 微Soluble in Water ，能与醇醚等一般有机溶剂相混溶，18℃时1L可溶解10克1-庚醇，Water 溶液呈胶体状。 ', '16 相对. Density（25℃，4℃）08187 ', '17 常温. Refractive index（n25）14223 ', '18 . Critical pressure（MPa）3058 ', '19 临界. Density（g·cm-3）0267 ', '20 临界体积（cm3·mol-1）435 ', '21 临界压缩因子0253 ', '22 偏心因子0587 ', '23 溶度参数(J·cm-3)0521517 ', '24 van der Waals面积（cm2·mol-1）1168×1010 ', '25 van der Waals体积（cm3·mol-1）83090 ', '26 气相标准. Combustion heat(焓)(kJ·mol-1)470462 ', '27 气相标准声称热(焓)( kJ·mol-1) -33656 ', '28 气相标准熵(J·mol-1·K-1) 4803 ', '29 气相标准生成自由能( kJ·mol-1)-12581 ', '30 液相标准. Combustion heat(焓)(kJ·mol-1)-46378 ', '31 液相标准声称热(焓)( kJ·mol-1)-4034 ', '32 液相标准熵(J·mol-1·K-1) 3201 ', '33 液相标准生成自由能( kJ·mol-1)-14485 ', '34 液相标准热熔(J·mol-1·K-1)2626']
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