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More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,20ºC）072 ', '3 液相标准. Combustion heat(焓)(kJ·mol-1)-612030 ', '4 . Melting point（ºC）-1132 ', '5 . Boiling point（ºC,Atmospheric pressure）142 ', '6 液相标准声称热(焓)( kJ·mol-1)-27957 ', '7 . Refractive index（nD20）1405 ', '8 . Flash point（ºC）20 ', '9 液相标准热熔(J·mol-1·K-1)2812 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '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 易Soluble in Ethyl ether 丙酮苯and 其他有机溶剂，Soluble in Ethanol ，Insoluble in Water ']
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Computational_Chemistry:
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['1. XlogP :48 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :48 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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