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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 :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :197 ', '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 微Yellow 片状结晶 ', '2 . Density（g/mL,25/4℃）12 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）60 ', '5 . Boiling point（ºC,Atmospheric pressure）320 ', '6 气相标准. Combustion heat(焓)(kJ·mol-1)-72464 ', '7 气相标准声称热(焓)( kJ·mol-1) 223 ', '8 . Flash point（ºF）230 ', '9 晶相相标准. Combustion heat(焓)(kJ·mol-1)-71531 ', '12 晶相标准声称热(焓)( kJ·mol-1)-710 ', '11 . Vapor pressure（kPa,25ºC）00003 ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '13 . Combustion heat（KJ/mol）562 ', '14 . Critical temperature（ºC） Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 318 ', '17 . Upper limit of explosion（%,V/V） ', '18 . Lower limit of explosion（%,V/V） UnknowUnknow ', '19 . Solubility 微Soluble in 热Water ']
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