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More_Info:
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['1 . Appearance 不确定 2 . Density( g/mL,25/4 ℃ )不确定 3 . Relative vapor density( g/mL, Atmosphere =1 )不确定 4 . Melting point( ºC )274 5 . Boiling point( ºC, Atmospheric pressure)不确定 6 . Boiling point( ºC,52kPa )不确定 7 . Refractive index不确定 8 . Flash point( ºC )不确定 9 . Specific rotation( º )不确定 10 . Spontaneous ignition point or ignition temperature( ºC )不确定 11 . Vapor pressure( kPa,25ºC )不确定 12 . Saturated vapor pressure( kPa,60ºC )不确定 13 . Combustion heat( KJ/mol )不确定 14 . Critical temperature( ºC )不确定 15 . Critical pressure( KPa )不确定 16 . Oil-water(Octanol / Water )Logarithmic Value of Distribution Coefficient 不确定 17 . Upper limit of explosion( %,V/V )不确定 18 . Lower limit of explosion( %,V/V )不确定 ', '19 . Solubility 不确定']
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Computational_Chemistry:
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['1. XlogP :76 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 185 ', '7. Heavy Atom Count :30 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :459 ', '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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