|
More_Info:
|
['1 . Appearance 具有臭味的Liquid 。 ', '2 . Density（g/mL,25/4℃）16791 ', '3 相对. Density（20℃，4℃）16861 ', '4 . Melting point（ºC）-344 ', '5 . Boiling point（ºC,Atmospheric pressure）200 ', '6 常温. Refractive index（n20）15078 ', '7 . Refractive index15086 ', '8 . Flash point（ºC）＞110 ', '9 常温. Refractive index（n25）15054 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）05 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）417 ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 31 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Insoluble in Water 。']
|
|
Computational_Chemistry:
|
['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :371 ', '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 :1']
|
