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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 :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :619 ', '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 or 浅Yellow 黏稠Liquid ，略有玫瑰and 橙花气味，并有油脂and 蜡般气息。 ', '2 相对. Density（g/mL,20/4℃）08297 ', '3 . Relative vapor density（g/mL,Atmosphere =1）53 ', '4 凝固点（ºC）69 ', '5 . Boiling point（ºC,Atmospheric pressure）2329 ', '6 . Refractive index（n20ºC）14371 ', '7 . Flash point（ºC,开口）82 ', '8 . Vapor pressure（mmHg,70ºC）1 ', '9 . Saturated vapor pressure（kPa, 695ºC）013 ', '10 . Combustion heat（KJ/g）417 ', '11 比热容（KJ/(kg·K),20~30ºC,定压）224 ', '12 体膨胀系数（K-1）000086 ', '13 . Solubility 能与醇醚丙酮苯冰乙酸环己烷四氯化碳等混溶。20℃时在Water 中溶解002%；Water 在癸醇中溶解3%。 ', '14 相对. Density（25℃，4℃）08263 ', '15 常温. Refractive index（n25）14353 ', '16 . Critical temperature（ºC）40515 ', '17 . Critical pressure（MPa）2315 ', '18 临界. Density（g·cm-3）0244 ', '19 临界体积（cm3·mol-1）649 ', '20 临界压缩因子0263 ', '21 偏心因子0613 ', '22 溶度参数(J·cm-3)0520012 ', '23 van der Waals面积（cm2·mol-1）1573×1010 ', '24 van der Waals体积（cm3·mol-1）113780 ', '25 气相标准. Combustion heat(焓)(kJ·mol-1)668197 ', '26 气相标准声称热(焓)( kJ·mol-1) -39723 ', '27 液相标准. Combustion heat(焓)(kJ·mol-1)-660047 ', '28 液相标准声称热(焓)( kJ·mol-1)-47873 ', '29 液相标准热熔(J·mol-1·K-1)4191']
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