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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 :3 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :N/A ', '6. TPSA 277 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :110 ', '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 Liquid ，易吸潮。 ', '2 . Density（g/mL,20/4℃）08583 ', '3 . Relative vapor density（g/mL,Atmosphere =1）79 ', '4 . Melting point（ºC）-70 ', '5 . Boiling point（ºC,Atmospheric pressure）230-235 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（20ºC）14096 ', '8 . Flash point（ºC）93 ', '9 黏度（mPa·s,20ºC）120 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Vapor pressure（kPa,1038ºC）10 ', '13 蒸发热（KJ/mol,25ºC）5279 ', '14 生成热（KJ/mol）-11920 ', '15 . Combustion heat（KJ/mol）80604 ', '16 . Critical temperature（ºC）4700 ', '17 . Critical pressure（KPa）199 ', '18 . Boiling point上升常数0051 ', '19 . Solubility 可Soluble in Water ，Soluble in 苯及二烷。']
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