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More_Info:
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['1 . Appearance Colourless Liquid ，有类似氯仿的气味。 ', '2 . Boiling point（ºC,1013kPa）6062 ', '3 . Melting point（ºC）-815 ', '4 相对. Density（g/mL,20/4ºC）12837 ', '5 . Refractive index（20ºC）14490 ', '6 黏度（mPa·s,气体）0467 ', '7 . Flash point（ºC,闭口）39 ', '8 蒸发热（KJ/mol,bp）3025 ', '9 熔化热（KJ/mol）7211 ', '10 . Combustion heat（KJ/mol,187ºC）109342 ', '11 比热容（KJ/(kg·K),20ºC）118 ', '12 . Critical temperature（ºC）2710 ', '13 . Critical pressure（MPa）587 ', '14 电导率（S/m,25ºC）85×10-9 ', '15 体膨胀系数（K-1,15~45ºC）000127 ', '16 . Solubility 微Soluble in Water 。能与 Ethanol Ethyl ether 等多种有机溶剂混溶。 ', '17 相对. Density（20℃，4℃）12837 ', '18 相对. Density（25℃，4℃）12771 ', '19 常温. Refractive index（n20）14490 ', '20常温. Refractive index（n25）14461 ', '21溶度参数(J·cm-3)0519476 ', '22van der Waals面积（cm2·mol-1）5760×109 ', '23van der Waals体积（cm3·mol-1）40180 ', '24液相标准声称热(焓)( kJ·mol-1)-338 ', '25液相标准热熔(J·mol-1·K-1)1179 ', '26气相标准声称热(焓)( kJ·mol-1) -28 ', '27气相标准熵(J·mol-1·K-1) 28972 ', '28气相标准生成自由能( kJ·mol-1)197 ', '29气相标准热熔(J·mol-1·K-1)6500']
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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 :4 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :192 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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