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Computational_Chemistry:
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['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :101 ', '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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More_Info:
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['1 . Appearance White 晶体 ', '2 . Density(g/mL, 20/15℃)1161 ', '3 . Boiling point(ºC)8215 ', '4 . Melting point(ºC)22℃ ', '5 . Boiling point(ºC, 093kPa) 79 ', '6 . Boiling point(ºC, 186Pa-2kPa)90-91℃ ', '7 . Boiling point(ºC, 133kPa)82-83°C ', '8 . Refractive indexn 20/D 14825 ', '9 . Flash point(ºC)82℃ ', '10 相对. Density(20℃,4℃)1159 ', '11 常温. Refractive index(n20)14825 ', '12 . Vapor pressure(kPa,25ºC)Unknow ', '13 . Saturated vapor pressure(kPa,60ºC)Unknow ', '14 . Combustion heat(KJ/mol)Unknow ', '15 . Critical temperature(ºC)Unknow ', '16 . Critical pressure(KPa)Unknow ', '17 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '18 . Upper limit of explosion(%,V/V)Unknow ', '19 . Lower limit of explosion(%,V/V)Unknow ', '20 . Solubility Insoluble in Water ,Soluble in 醇醚']
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