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More_Info:
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['1. Appearance 纯品为Colourless Liquid ，工业品为Colourless to 淡Yellow Liquid ，有苦杏仁气味。 ', '2. Boiling point（ºC,1013kPa）179 ', '3. Melting point（ºC）-26 ', '4. Density（g/mL,20ºC）10458 ', '5. Density（g/mL,25ºC）10415 ', '6. Relative vapor density（g/mL,Atmosphere =1）366 ', '7. Refractive index（n20ºC）15463 ', '8. Refractive index（n25ºC）15427 ', '9黏度（mPa·s,0ºC）2292 ', '10黏度（mPa·s,20ºC）153 ', '11黏度（mPa·s,25ºC）1395 ', '12. Flash point（ºC,开杯）739 ', '13. Flash point（ºC,闭杯）62 ', '14燃点（ºC）192 ', '15. Lower limit of explosion（%,V/V）14 ', '16. Vapor pressure（kPa,26ºC）013 ', '17. Solubility 微Soluble in Water ，20℃在Water 中溶解度为03%，能与 Ethanol Ethyl ether 苯氯仿等混溶。 ', '18相对. Density（20℃，4℃）10447 ', '19相对. Density（25℃，4℃）10408 ', '20 . Critical temperature（ºC）42185 ', '21 . Critical pressure（MPa）47 ', '22 偏心因子0305 ', '23 溶度参数(J·cm-3)0521610 ', '24 van der Waals面积（cm2·mol-1）7700×109 ', '25 van der Waals体积（cm3·mol-1）60980 ', '26 气相标准. Combustion heat(焓)(kJ·mol-1)-3575 ', '27 气相标准声称热(焓)( kJ·mol-1) -367 ', '28 气相标准熵(J·mol-1·K-1) 33601 ', '29 气相标准生成自由能( kJ·mol-1)-226 ', '30 气相标准热熔(J·mol-1·K-1)1117 ', '31 液相标准. Combustion heat(焓)(kJ·mol-1)-35250 ', '32 液相标准声称热(焓)( kJ·mol-1)-870 ', '33 液相标准熵(J·mol-1·K-1) 22130 ', '34 液相标准生成自由能( kJ·mol-1)-63 ', '35 液相标准热熔(J·mol-1·K-1)1779']
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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 :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 171 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :725 ', '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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