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More_Info:
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['一物性数据 ', '1. Appearance Colourless 可燃Liquid ', '2. Density（g/mL,20/4℃）08920 ', '3液相标准. Combustion heat(焓)(kJ·mol-1)-505875 ', '4. Melting point（ºC）-40 ', '5. Boiling point（ºC,Atmospheric pressure）156 ', '6液相标准声称热(焓)( kJ·mol-1)880 ', '7. Refractive index(n20D) 15131 ', '8. Flash point（ºC）33 ', '9. Specific rotation（º）不可用 ', '10. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '11. Vapor pressure（kPa,25ºC）不可用 ', '12. Saturated vapor pressure（kPa,60ºC）不可用 ', '13. Combustion heat（KJ/mol）不可用 ', '14. Critical temperature（ºC）不可用 ', '15. Critical pressure（KPa）不可用 ', '16. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '17. Upper limit of explosion（%,V/V）不可用 ', '18. Lower limit of explosion（%,V/V）不可用 ', '19. Solubility Soluble in Ethanol Ethyl ether 苯，Insoluble in Water ']
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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 :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :78 ', '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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