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More_Info:
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['1 气相标准. Combustion heat(焓)(kJ·mol-1)-56968 ', '2 气相标准声称热(焓)( kJ·mol-1) -1315 ', '3 . Densityd（g/mL,25/4℃）086 ', '4 气相标准熵(J·mol-1·K-1) 36497 ', '5 . Melting pointmp（ºC）-5928 ', '6 . Boiling point（ºC,Atmospheric pressure）159 ', '7 . Boiling pointbp（ºC,4mm）159 ', '8 气相标准生成自由能( kJ·mol-1)868 ', '9 . Flash pointfp（ºC）39 ', '10 液相标准. Combustion heat(焓)(kJ·mol-1)-56520 ', '11 液相标准声称热(焓)( kJ·mol-1)-1762 ', '12 液相标准熵(J·mol-1·K-1) 25886 ', '13 液相标准生成自由能( kJ·mol-1)737 ', '14 液相标准热熔(J·mol-1·K-1)20970 ', '15 . Critical temperature（ºC）不确定 ', '16 . Critical pressure（KPa）不确定 ', '17 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '18 . Upper limit of explosion（%,V/V）不确定 ', '19 . Lower limit of explosion（%,V/V）不确定']
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Computational_Chemistry:
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['1 . XlogP 41 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 0 ', '6 . Heavy Atom Count 9 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 842 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 2 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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