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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 :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :527 ', '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 to 浅Yellow 黏稠状Liquid ，略有玫瑰香味。 ', '2 . Boiling point（ºC,1013kPa）2131 ', '3 . Melting point（ºC）-5 ', '4 相对. Density（g/mL,20/4ºC）08280 ', '5 . Refractive index（n20ºC）14338 ', '6 黏度（mPa·s,0ºC）560 ', '7 黏度（mPa·s,20ºC）143 ', '8 . Flash point（ºC,闭口）99 ', '9 蒸发热（KJ/kg）5610 ', '10 . Combustion heat（KJ/mol）59461 ', '11 比热容（KJ/(kg·K),13ºC,定压）234 ', '12 . Vapor pressure（kPa,20ºC）040 ', '13 热导率（W/(m·K),20ºC）1675 ', '14 凝固点（ºC）-5 ', '15 溶解度（%,20ºC,Water ）006 ', '16 体膨胀系数（K-1）000091 ', '17. Solubility 微Soluble in Water ，Soluble in Ethanol Ethyl ether ，可混Soluble in 醇醚氯仿。 ', '18 相对. Density（25℃，4℃）08247 ', '19 常温. Refractive index（n25）14319 ', '20 . Critical temperature（ºC）36685 ', '21 . Critical pressure（MPa）2528 ', '22 临界. Density（g·cm-3）0252 ', '23 临界体积（cm3·mol-1）572 ', '24 临界压缩因子0260 ', '25 偏心因子0594 ', '26 溶度参数(J·cm-3)0520582 ', '27 van der Waals面积（cm2·mol-1）1438×1010 ', '28 van der Waals体积（cm3·mol-1）103550 ', '29 气相标准. Combustion heat(焓)(kJ·mol-1)602316 ', '30 气相标准声称热(焓)( kJ·mol-1) -37673 ', '31 液相标准. Combustion heat(焓)(kJ·mol-1)-594630 ', '32 液相标准声称热(焓)( kJ·mol-1)-45359 ', '33 液相标准热熔(J·mol-1·K-1)3806']
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