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Computational_Chemistry:
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['1 . XlogP 3 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 179 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '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 油状Liquid ', '2 相对. Density（g/mL,20/4ºC）10491 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point12℃（65~75ºC） ', '5 . Boiling point（ºC,Atmospheric pressure）2715 ', '6 . Boiling point（ºC, 20KPa）144 ', '7 . Refractive index（20ºC）15598 ', '8 . Flash point（ºC）935 ', '9 黏度（mPa·s,20ºC）87 ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Vapor pressure（kPa,876ºC）013 ', '13 蒸发热（KJ/mol）586 ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Insoluble in Water ，能与 Ethanol Ethyl ether 混溶。']
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