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Computational_Chemistry:
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['1. XlogP :21 ', '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 :5 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :27 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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More_Info:
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['1 . Appearance 类似汽油的Colourless Liquid 。 ', '2 . Density（g/mL,25/4℃） 0651 ', '3 溶度参数(J·cm-3)0514973 ', '4 . Melting point（ºC）-140 ', '5 . Boiling point（ºC,Atmospheric pressure）37 ', '6 van der Waals面积（cm2·mol-1）7750×109 ', '7 . Refractive index(n20D) 1379 ', '8 . Flash point（ºC）-46 ', '9 van der Waals体积（cm3·mol-1）54510 ', '10 液相标准. Combustion heat(焓)(kJ·mol-1)-333871 ', '11 . Vapor pressure（kPa,25ºC）384 ', '12 液相标准声称热(焓)( kJ·mol-1)-5798 ', '13 液相标准熵(J·mol-1·K-1) 25652 ', '14 . Critical temperature（K）20185 ', '15 . Critical pressure（MPa）365 ', '16 偏心因子0237 ', '17 液相标准生成自由能( kJ·mol-1)6874 ', '18 . Lower limit of explosion（%,V/V）14 ', '19 . Solubility 02g/L（Water ）。 ', '20 气相标准. Combustion heat(焓)(kJ·mol-1)-336540 ', '21 气相标准声称热(焓)( kJ·mol-1)-3130 ', '22 气相标准熵(J·mol-1·K-1) 34041 ', '23 气相标准生成自由能( kJ·mol-1)7042 ', '24 气相标准热熔(J·mol-1·K-1)10845 ', '25 液相标准热熔(J·mol-1·K-1)15698 ', '26 气相标准热熔(J·mol-1·K-1)9870 ', '27 液相标准热熔(J·mol-1·K-1)1741']
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