Computational_Chemistry:
|
['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :199 ', '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 Liquid ', '2 . Density(g/mL,25/4℃)0990(20/4℃) ', '3 相对. Density(25℃,4℃)0964330 ', '4 . Melting point(ºC)257~259℃ ', '5 . Boiling point(ºC,Atmospheric pressure)230℃ ', '6 常温. Refractive index(n25)1418530 ', '7 . Refractive index14231 ', '8 . Flash point(ºC)94℃ ', '9 常温. Refractive index(n20)14240 ', '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 能与醇醚混溶,Insoluble in Water ']
|