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More_Info:
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['1. Appearance Colourless 透明Liquid 。 ', '2. Melting point（℃）-51 ', '3. Boiling point（℃）1508 ', '4相对. Density（Water =1）072 ', '5相对蒸气. Density（Atmosphere =1）44 ', '6. Saturated vapor pressure（kPa）042（20℃） ', '7. Critical temperature（℃）321 ', '8. Critical pressure（MPa）228 ', '9Octanol /Water 分配系数546 ', '10. Flash point（℃）31（CC） ', '11引燃温度（℃）205 ', '12. Upper limit of explosion（%）29 ', '13. Lower limit of explosion（%）08 ', '14. Solubility Insoluble in Water ，Soluble in Ethanol Ethyl ether ，可混Soluble in 苯丙酮氯仿。 ', '15溶度参数(J·cm-3)0515527 ', '16van der Waals面积（cm2·mol-1）1369×1010 ', '17偏心因子0438 ', '18临界压缩因子0257 ', '19临界. Density（g·cm-3）0231 ', '20临界体积（cm3·mol-1）555 ', '21van der Waals体积（cm3·mol-1）98950 ', '22气相标准. Combustion heat(焓)(kJ·mol-1)-617165 ', '23气相标准声称热(焓)( kJ·mol-1)-22824 ', '24气相标准熵(J·mol-1·K-1) 50654 ', '25气相标准生成自由能( kJ·mol-1)257 ', '26气相标准热熔(J·mol-1·K-1)21041 ', '27液相标准. Combustion heat(焓)(kJ·mol-1)-612521 ', '28液相标准声称热(焓)( kJ·mol-1)-27468 ', '29液相标准熵(J·mol-1·K-1) 3936 ', '30液相标准生成自由能( kJ·mol-1)1266 ', '31液相标准热熔(J·mol-1·K-1)2845']
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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 :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :333 ', '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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