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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 :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :118 ', '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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More_Info:
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['1 . Appearance Colourless Liquid ，有芳香味。 ', '2 . Boiling point（ºC,1013kPa）181 ', '3 . Melting point（ºC,酮式）-39 ', '4 . Melting point（ºC,烯醇式）-44 ', '5 相对. Density（g/mL,25/4ºC）102126 ', '6 . Relative vapor density（g/mL,Atmosphere =1）45 ', '7 . Refractive index（20ºC）14194 ', '8 黏度（mPa·s,25ºC）15081 ', '9 . Flash point（ºC,闭口）844 ', '10 燃点（ºC）295 ', '11 . Combustion heat（KJ/mol,25ºC）31627 ', '12 比热容（KJ/(kg·K),245ºC,定压）192 ', '13 . Critical temperature（ºC）400 ', '14 电导率（S/m,25ºC）1×10-7 ', '15 . Vapor pressure（kPa,40~41ºC）027 ', '16 热导率（W/(m·K),30ºC）01558 ', '17 . Solubility 微Soluble in Water ，Soluble in 有机溶剂。25℃时在Water 中溶解12%；Water 在乙酰乙酸乙酯中溶解49%。 ', '18 相对. Density（20℃，4℃）10282 ', '19 液相标准热熔(J·mol-1·K-1) 2514 ', '20 气相标准. Combustion heat(焓)(kJ·mol-1)-32285 ', '21 气相标准声称热(焓)( kJ·mol-1) -56177']
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