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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 :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :554 ', '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 透明Liquid ，有微弱的蜜甜Water 果香气。 ', '2 . Boiling point（ºC,1013kPa）20545 ', '3 . Melting point（ºC）-153 ', '4 相对. Density（g/mL,25/4ºC）10456 ', '5 . Refractive index（n20DºC）15400 ', '6 黏度（mPa·s,15ºC）7760 ', '7 黏度（mPa·s,30ºC）4650 ', '8 . Flash point（ºC,开口）93 ', '9 燃点（ºC）4361 ', '10 蒸发热（KJ/mol,bp）5052 ', '11 熔化热（KJ/mol）1705 ', '12 生成热（KJ/mol）-1611 ', '13 . Combustion heat（KJ/mol）37397 ', '14 比热容（KJ/(kg·K),15~20ºC,定压）226 ', '15 电导率（S/m,25ºC）18×10-7 ', '16 体膨胀系数（K-1）000075 ', '17 . Vapor pressure（kPa, 58ºC）013 ', '18 溶解度（%,20ºC,Water ）38 ', '19 . Solubility 微Soluble in Water ，能与 Ethanol Ethyl ether 氯仿等混溶。能溶解硝酸纤维素乙酸苄酯香豆酮树脂甘油三松香酸酯乳香酪朊明胶虫胶等。 ', '20 相对. Density（25℃，4℃）1041 ', '21 常温. Refractive index（n25）15384 ', '22 . Critical temperature（ºC）44185 ', '23 . Critical pressure（MPa）43 ', '24 偏心因子0691 ', '25 溶度参数(J·cm-3)0524649 ', '26 van der Waals面积（cm2·mol-1）8110×109 ', '27 van der Waals体积（cm3·mol-1）64110 ', '28 气相标准. Combustion heat(焓)(kJ·mol-1)-379748 ', '29 气相标准声称热(焓)( kJ·mol-1) -10042 ', '30 液相标准. Combustion heat(焓)(kJ·mol-1)-373719 ', '31 液相标准声称热(焓)( kJ·mol-1)-16071 ', '32 液相标准熵(J·mol-1·K-1) 2167 ', '33 液相标准生成自由能( kJ·mol-1)-2715 ', '34 液相标准热熔(J·mol-1·K-1)2233']
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