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More_Info:
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['1 . Appearance Yellow Liquid ', '2 . Density（g/mL,25℃）1305 ', '3 . Relative vapor density（g/mL,Atmosphere =1）519 ', '4 . Melting point（ºC）14-16 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,05KPa）85 ', '7 . Refractive indexn20/D 1456 ', '8 . Flash point（ºC）1028 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）360 ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,25ºC）0072 ', '13 . Combustion heat（KJ/mol）466 ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 114 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）23 ', '19 . Solubility Water 20ºC ，71g/L']
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Computational_Chemistry:
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['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :121 ', '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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