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Computational_Chemistry:
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['1 . XlogP 1 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 7 ', '5 . TPSA 526 ', '6 . Heavy Atom Count 12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 135 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance Colourless 透明Liquid 。 ', '2 . Density（g/mL,20/4℃）10600 ', '3 . Relative vapor density（g/mL,Atmosphere =1）58 ', '4 . Melting point（ºC）103 ', '5 . Boiling point（ºC,Atmospheric pressure）11513 ', '6 . Boiling point（ºC,173kPa）115 ', '7 . Refractive index（20ºC）14283 ', '8 . Flash point（ºC）107 ', '9 相对. Density（25℃，4℃）10002853 ', '10 相对. Density（20℃，4℃）10600 ', '11 . Vapor pressure（kPa,25ºC）007 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）465 ', '14 液相标准. Combustion heat(焓)(kJ·mol-1)-4686 ', '15 液相标准声称热(焓)( kJ·mol-1)-678 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 103 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Insoluble in Water ，能Soluble in 醇and 醚。']
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