|
Computational_Chemistry:
|
['1. XlogP :43 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :89 ', '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℃）08624 ', '3 相对. Density（20℃，4℃）08269 ', '4 . Melting point（ºC）-4 ', '5 . Boiling point（ºC,Atmospheric pressure）272， 117ºC(2399pa) ', '6 . Boiling point（ºC, 24KPa）116-117 ', '7 相对. Density（25℃，4℃）08231 ', '8 . Flash point（ºC）96 ', '9. Refractive index (n20D) 1452 ', '10 常温. Refractive index（n25）14288 ', '11 . Vapor pressure（mmHg,70ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 Soluble in 油类and 醇，Insoluble in 甘油and Water 。']
|
