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More_Info:
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['1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL,20℃）179 ', '3 相对. Density（20℃，4℃）17598 ', '4 . Melting point（ºC）105 ', '5 . Boiling point（ºC,Atmospheric pressure）1490 ', '6 相对. Density（25℃，4℃）17518 ', '7 . Refractive index(n20/D)15119 ', '8 . Flash point（ºC）114 ', '9 常温. Refractive index（n25）15097 ', '10 气相标准声称热(焓)( kJ·mol-1) -1133 ', '11 液相标准声称热(焓)( kJ·mol-1)-1566 ', '12 . Saturated vapor pressure（kPa,25ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '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 微Soluble in Water ']
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Computational_Chemistry:
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['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 0 ', '7 . Heavy Atom Count 6 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 408 ', '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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