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More_Info:
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['1. Appearance Colourless 透明Liquid ', '2. Melting point（℃）-91 ', '3. Boiling point（℃）1091 ', '4相对. Density（Water =1）0694 ', '5. Critical pressure（Mpa）249 ', '6Octanol /Water 分配系数412 ', '7. Flash point-2 ', '8引燃温度（℃）315 ', '9. Upper limit of explosion（%）59 ', '10. Lower limit of explosion（%）098 ', '11. Solubility Soluble in Ethanol Ethyl ether 等多数有机溶剂。 ', '12. Critical temperature（K）27685 ', '13临界. Density（g·cm-3）0237 ', '14临界体积（cm3·mol-1）482 ', '15临界压缩因子0262 ', '16偏心因子0358 ', '17溶度参数(J·cm-3)0514741 ', '18van der Waals面积（cm2·mol-1）1232×1010 ', '19van der Waals体积（cm3·mol-1）88700 ', '20气相标准. Combustion heat(焓)(kJ·mol-1)-549803 ', '21气相标准声称热(焓)( kJ·mol-1)-22251 ', '22气相标准熵(J·mol-1·K-1) 44246 ', '23气相标准生成自由能( kJ·mol-1)99 ', '24气相标准热熔(J·mol-1·K-1)18584 ', '25液相标准. Combustion heat(焓)(kJ·mol-1)-546016 ', '26液相标准声称热(焓)( kJ·mol-1)-26037 ', '27液相标准热熔(J·mol-1·K-1)24920']
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Computational_Chemistry:
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['1. XlogP :4 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :36 ', '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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