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More_Info:
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['1 . Appearance Colourless 流动性Liquid ，有芳香味。 ', '2 . Boiling point（ºC,1013kPa）80261 ', '3 . Melting point（ºC）510 ', '4 相对. Density（g/mL,15/4ºC）160682 ', '5 . Refractive index（n25ºC）13777 ', '6 蒸发热（KJ/mol,25ºC）3571±008 ', '7 蒸发热（KJ/mol,bp）3271 ', '8 熔化热（KJ/mol）1160 ', '9 生成热（KJ/mol,25ºC,Liquid ）-95895 ', '10 . Combustion heat（KJ/mol）-24±001 ', '11 比热容（KJ/(kg·K),23ºC,定压）119 ', '12 . Critical temperature（ºC）24357±003 ', '13 . Critical pressure（MPa）330±005 ', '14 . Vapor pressure（kPa,1975ºC）871 ', '15 体膨胀系数（K-1,25ºC）0001412 ', '16 . Solubility 可以与Water 共溶 ', '17 相对. Density（20℃，4℃）16182 ', '18 相对. Density（25℃，4℃）16067 ', '19 . Critical temperature（K）24352 ', '20 . Critical pressure（MPa）3275 ', '21 临界. Density（g·cm-3）0555 ', '22 临界体积（cm3·mol-1）3351 ', '23 临界压缩因子0255 ', '24 偏心因子0395 ', '25 Lennard-Jones参数（A）1139 ', '26 Lennard-Jones参数（K）1877 ', '27 溶度参数(J·cm-3)0516917 ', '28 van der Waals面积（cm2·mol-1）7660×109 ', '29 van der Waals体积（cm3·mol-1）563240 ', '30 气相标准声称热(焓)( kJ·mol-1) -9456 ', '31 气相标准熵(J·mol-1·K-1) 3822 ', '32 气相标准生成自由能( kJ·mol-1)-86801 ', '33 气相标准热熔(J·mol-1·K-1)15548 ', '34 液相标准声称热(焓)( kJ·mol-1)-9816 ', '35 液相标准熵(J·mol-1·K-1) 28242 ', '36 液相标准生成自由能( kJ·mol-1)-8742 ', '37 液相标准热熔(J·mol-1·K-1)2202']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :104 ', '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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