|
Computational_Chemistry:
|
['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']
|
|
More_Info:
|
['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 。']
|
