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More_Info:
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['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25/4℃）08604 ', '3 相对. Density（20℃，4℃）08645 ', '4 . Melting point（ºC）-9595 ', '5 . Boiling point（ºC,Atmospheric pressure）16133 ', '6 . Boiling point（ºC,52kPa）158-159 ', '7 常温. Refractive index(n20D) 1496 ', '8 . Flash point（ºC）44 ', '9 常温. Refractive index（n25）14941 ', '10 液相标准. Combustion heat(焓)(kJ·mol-1)-520787 ', '11 液相标准声称热(焓)( kJ·mol-1)-4870 ', '12 . Saturated vapor pressure（kPa,60ºC）4 ', '13 溶度参数(J·cm-3)0517857 ', '14 van der Waals面积（cm2·mol-1）1019×1010 ', '15 van der Waals体积（cm3·mol-1）80890 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient +398 ', '17 液相标准热熔(J·mol-1·K-1)2133 ', '18 气相标准. Combustion heat(焓)(kJ·mol-1)-525477 ', '19 . Solubility Insoluble in Water 。 ', '20 气相标准声称热(焓)( kJ·mol-1) -180 ', '21 气相标准熵(J·mol-1·K-1) 40417 ', '22 气相标准生成自由能( kJ·mol-1)12668 ', '23 气相标准热熔(J·mol-1·K-1)14786']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :761 ', '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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