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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 746 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :135 ', '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 结晶。 ', '2 . Density（g/ cm3,25/4℃）1162 ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）144 ', '5 . Boiling point（ºC,Atmospheric pressure）219（2666pa） ', '6 气相标准. Combustion heat(焓)(kJ·mol-1)-42539 ', '7 气相标准声称热(焓)( kJ·mol-1) -8950 ', '8 . Flash point（ºC）203 ', '9 晶相相标准. Combustion heat(焓)(kJ·mol-1)-411091 ', '10 晶相标准声称热(焓)( kJ·mol-1)-103797 ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）667 ', '14 . Critical temperature（ºC）56985 ', '15 . Critical pressure（MPa）297 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 难Soluble in Water ， Ethyl ether ，Soluble in Ethanol 。几乎Insoluble in 氯仿']
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