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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 :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 185 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :398 ', '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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More_Info:
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['1. Appearance Colourless 易挥发Liquid ，有芳香气味。 ', '2. Melting point（℃）-100 ', '3. Boiling point（℃）1027 ', '4相对. Density（Water =1）083 ', '5相对蒸气. Density（Atmosphere =1）41 ', '6. Saturated vapor pressure（kPa）27（20℃） ', '7. Combustion heat（kJ/mol）-4594 ', '8. Critical pressure（MPa）298 ', '9Octanol /Water 分配系数084 ', '10. Flash point（℃）-21（CC） ', '11引燃温度（℃）230 ', '12. Upper limit of explosion（%）104 ', '13. Lower limit of explosion（%）16 ', '14. Solubility Soluble in Water ，Soluble in Ethanol Ethyl ether 丙酮氯仿。 ', '15. Refractive index（20ºC）13811 ', '16燃点（ºC）230 ', '17蒸发热（KJ/mol,1029ºC）3275 ', '18. Combustion heat（KJ/kg）3890 ', '19比热容（KJ/(kg·K),9~99ºC,定压）218 ', '20相对. Density（25℃，4℃）08242416 ', '21. Critical pressure（MPa）322 ', '22偏心因子0432 ', '23溶度参数(J·cm-3)0516506 ', '24van der Waals面积（cm2·mol-1）1083×1010 ', '25van der Waals体积（cm3·mol-1）75650 ', '26气相标准. Combustion heat(焓)(kJ·mol-1)-39083 ', '27气相标准声称热(焓)( kJ·mol-1) -4535 ', '28液相标准. Combustion heat(焓)(kJ·mol-1)-387049 ', '29液相标准声称热(焓)( kJ·mol-1)-4914']
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