|
More_Info:
|
['1 . Appearance 从 Ethanol 中结晶得针晶。 ', '2 . Density（g/mL,25℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1） ', '4 . Melting point（ºC）136-137 ', '5 . Boiling point（ºC,） 286 ', '6 . Boiling point（ºC,） ', '7 . Refractive index ', '8 . Flash point（ºC）117 ', '9 . Specific rotation（º） ', '10 . Spontaneous ignition point or ignition temperature（ºC） ', '11 . Vapor pressure（kPa,25ºC） 00027 ', '12 . Saturated vapor pressure（kPa,60ºC） ', '13 . Combustion heat（KJ/mol） ', '14 . Critical temperature（ºC） ', '15 . Critical pressure（KPa） ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient ', '17 . Upper limit of explosion（%,V/V） ', '18 . Lower limit of explosion（%,V/V） ', '19 . Solubility Insoluble in Water ，微Soluble in Ethanol 。']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 374 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :213 ', '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']
|
