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More_Info:
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['1. Appearance Colourless 透明Liquid ，有类似甲苯的气味。 ', '2. Melting point（℃）-479 ', '3. Boiling point（℃）139 ', '4相对. Density（Water =1）086 ', '5相对蒸气. Density（Atmosphere =1）366 ', '6. Saturated vapor pressure（kPa）133（283℃） ', '7. Combustion heat（kJ/mol）-48307 ', '8. Critical temperature（℃）346 ', '9. Critical pressure（MPa）354 ', '10Octanol /Water 分配系数32 ', '11. Flash point（℃）25（CC） ', '12引燃温度（℃）527 ', '13. Upper limit of explosion（%）7 ', '14. Lower limit of explosion（%）11 ', '15. Solubility Insoluble in Water ,可混Soluble in Ethanol Ethyl ether 氯仿等多数有机溶剂。 ', '16黏度（mPa·s,25ºC）0579 ', '17燃点（ºC）528 ', '18蒸发热（KJ/mol,1013kPa）3638 ', '19蒸发热（KJ/mol,11kPa）4268 ', '20熔化热（KJ/mol,1013kPa）1158 ', '21生成热（KJ/mol,25ºC,气体）17250 ', '22生成热（KJ/mol,25ºC,Liquid ）-2543 ', '23. Combustion heat（KJ/mol,25ºC, 气体）459760 ', '24. Combustion heat（KJ/mol,25ºC, Liquid ）455490 ', '25比热容（KJ/(kg·K),25ºC,定压）120 ', '26热导率（W/(m·K),20≤t<55ºC）(01368~23957)×10-4 t ', '27相对. Density（20℃，4℃）08642 ', '28常温. Refractive index（n20）14972 ', '29临界. Density（g·cm-3）0283 ', '30临界体积（cm3·mol-1）375 ', '31临界压缩因子0259 ', '32偏心因子0326 ', '33Lennard-Jones参数（A）1594 ', '34Lennard-Jones参数（K）1626 ', '35溶度参数(J·cm-3)0518090 ', '36van der Waals面积（cm2·mol-1）8840×109 ', '37van der Waals体积（cm3·mol-1）70660 ', '38气相标准. Combustion heat(焓)(kJ·mol-1)-459453 ', '39气相标准声称热(焓)( kJ·mol-1) 1732 ', '40气相标准熵(J·mol-1·K-1) 35865 ', '41气相标准生成自由能( kJ·mol-1)1189 ', '42气相标准热熔(J·mol-1·K-1)12571 ', '43液相标准. Combustion heat(焓)(kJ·mol-1)-455186 ', '44液相标准声称热(焓)( kJ·mol-1)-2536 ', '45液相标准熵(J·mol-1·K-1) 25325 ', '46液相标准生成自由能( kJ·mol-1)10747 ', '47液相标准热熔(J·mol-1·K-1)18313']
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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 :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :584 ', '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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