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More_Info:
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['1 . Appearance Colourless 透明Liquid 。 ', '2 . Boiling point（ºC,1013kPa）169119 ', '3 . Boiling point（ºC,293kPa）70~75 ', '4 . Melting point（ºC）-5780 ', '5 相对. Density（g/mL,20/4ºC）08665 ', '6 相对. Density（g/mL,25/4ºC）086240 ', '7 . Refractive index(n20D) 14927 ', '8 . Refractive index（25ºC）149024 ', '9 黏度（mPa·s,20ºC）2813 ', '10 黏度（mPa·s,30ºC）2714 ', '11 . Flash point（ºC）34 ', '12 燃点（ºC）450 ', '13 蒸发热（KJ/mol,25ºC）-4911 ', '14 蒸发热（KJ/mol,bp）-37634 ', '15 熔化热（KJ/mol）-8399 ', '16 生成热（KJ/mol,25ºC）7084 ', '17 . Combustion heat（KJ/mol）58749 ', '18 比热容（KJ/(kg·K),2127ºC）178 ', '19 . Critical temperature（ºC）3741 ', '20 . Critical pressure（MPa）2979 ', '21 溶解度（%,Water ,20ºC）00292 ', '22 . Vapor pressure（kPa,25ºC）028 ', '23 . Vapor pressure（kPa,7307ºC）400 ', '24 . Vapor pressure（kPa,102449ºC）1333 ', '25 . Lower limit of explosion（%,V/V）07 ', '26 . Upper limit of explosion（%,V/V）57 ', '27 . Solubility Insoluble in Water ，能与苯丙酮混溶，易Soluble in Ethanol Ethyl ether 等有机溶剂。 ', '28 临界. Density（g·cm-3）0285 ', '29 临界体积（cm3·mol-1）472 ', '30 临界压缩因子0261 ', '31 偏心因子0266 ', '32 溶度参数(J·cm-3)0517228 ', '33 van der Waals面积（cm2·mol-1）1166×1010 ', '34 van der Waals体积（cm3·mol-1）90180 ', '35 气相标准. Combustion heat(焓)(kJ·mol-1)-591266 ', '36 气相标准声称热(焓)( kJ·mol-1) -2326 ', '37 液相标准. Combustion heat(焓)(kJ·mol-1)-586521 ', '38 液相标准声称热(焓)( kJ·mol-1)-7071 ', '39 液相标准熵(J·mol-1·K-1) 2787 ', '40 液相标准生成自由能( kJ·mol-1)1358 ', '41 液相标准热熔(J·mol-1·K-1)240']
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Computational_Chemistry:
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['1 . XlogP 41 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 0 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 911 ', '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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