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Computational_Chemistry:
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['1 . XlogP 37 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 0 ', '6 . Heavy Atom Count 8 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 531 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃） 073 ', '3 气相标准. Combustion heat(焓)(kJ·mol-1)-52588 ', '4 气相标准声称热(焓)( kJ·mol-1)-955 ', '5 . Boiling point（ºC,Atmospheric pressure）126 ', '6 液相标准. Combustion heat(焓)(kJ·mol-1)-52990 ', '7 液相标准声称热(焓)( kJ·mol-1)-1357 ', '8 . Flash point（ºC） 21 ', '9 液相标准热熔(J·mol-1·K-1)238 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V） 无可用 ', '19 . Solubility 无可用']
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