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More_Info:
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['一物性数据 ', '1 . Appearance . Density（g/mL,15℃） 0945 ', '2 . Relative vapor density（g/mL,Atmosphere =1） ', '3 . Melting point（ºC）49-51 ºC ', '4 . Boiling point（ºC,Atmospheric pressure）92-93 ', '5 . Refractive indexn 20/D 1474(lit) ', '6 . Flash point（ºC）4611 ', '7 . Spontaneous ignition point or ignition temperature（ºC） ', '8 . Vapor pressure（kPa,25ºC） ', '9 . Saturated vapor pressure（kPa,60ºC） ', '10 . Combustion heat（KJ/mol） ', '11 . Critical temperature（ºC） ', '12 . Critical pressure（KPa） ', '13 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient ', '14 . Upper limit of explosion（%,V/V） ', '15 . Lower limit of explosion（%,V/V） ', '16 . Solubility 微Soluble 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 :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :120 ', '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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