|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :3 ', '6. TPSA 179 ', '7. Heavy Atom Count :34 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :732 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :3']
|
|
More_Info:
|
['1 . Appearance 线状高分子化合物，为黄褐色or 棕色Solid 。 ', '2 . Density（g/mL 25ºC）Unknow 3 . Relative vapor density（g/mL,Atmosphere =1）155-160 4 . Melting point（ºCAtmospheric pressure）Unknow ', '5 . Boiling point（ºC，Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC，）Unknow ', '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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL) Soluble in 任何硬Water 中,但Insoluble in Ethanol 丙酮及其他普通的有机溶剂。']
|
