|
Computational_Chemistry:
|
['1. XlogP : ', '2. Hydrogen Bond Donor Count 0 ', '3. Hydrogen Bond Acceptor Count 2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count ', '6. TPSA :185 ', '7. Heavy Atom Count 6 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 28 ', '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']
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）0861 ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）-136 ', '5. Boiling point（ºC,Atmospheric pressure）61 ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive index13600 ', '8. Flash point（ºC）<0 ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）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）Unknow ', '18. Lower limit of explosion（%,V/V）Unknow ', '19. Solubility Unknow']
|
