Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 277 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :896 ', '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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More_Info:
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['1 . Appearance Colourless or 浅Yellow 透明Liquid 。 ', '2 . Density(g/mL, ,20℃)1077 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)-50 ', '5 . Boiling point(ºC,Atmospheric pressure)192 ', '6 . Boiling point(ºC 40mmHg)195-197 ', '7 . Refractive index(25℃)1419 ', '8 . Flash point(ºC)88 ', '9 . Specific rotation()Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)78 ', '11 . Vapor pressure(Pa,20ºC)<50 ', '12 . Saturated vapor pressure(kPa, 0ºC)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)44 Vol% ', '18 . Lower limit of explosion(%,V/V)55Vol% ', '19 . Solubility Soluble in 苯 Ethanol 汽油Insoluble in Water 。']
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