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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :5 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :124 ', '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 粘稠Liquid ', '2 . Density（g/ cm3,20/20℃）1053 ', '3 . Melting point（ºC）-267 ', '4 . Boiling point（ºC,Atmospheric pressure）2144 ', '5 . Refractive index（n20ºC）144 ', '6 . Flash point（ºC）79 ', '7 运动黏度（m2/s,20ºC）0466×10-4 ', '8 . Vapor pressure（kPa,25ºC）08 ', '9 蒸发热（KJ/mol,bp）579 ', '10 . Combustion heat（KJ/mol,20ºC,1013kPa）18468 ', '11 体膨胀系数（K-1,20~40ºC）000061 ', '12 . Solubility 能与Water Ethanol 丙酮氯仿等多种有机溶剂混溶。但不与苯四氯化碳石油醚混溶。 ', '13 相对. Density（20℃，4℃）1053 ', '14 相对. Density（25℃，4℃）1050 ', '15 常温. Refractive index（n25）14386 ', '16 . Critical temperature（ºC）44885 ', '17 . Critical pressure（MPa）63 ', '18 偏心因子1152 ', '19 溶度参数(J·cm-3)0531173 ', '20 van der Waals面积（cm2·mol-1）6970×109 ', '21 van der Waals体积（cm3·mol-1）46760 ', '22 气相标准. Combustion heat(焓)(kJ·mol-1)-19318 ', '23 气相标准声称热(焓)( kJ·mol-1) -3921 ', '24 液相标准. Combustion heat(焓)(kJ·mol-1)-18590 ', '25 液相标准声称热(焓)( kJ·mol-1)-4649 ', '26 液相标准热熔(J·mol-1·K-1)2434']
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