More_Info:
|
['1 . Appearance White 乳状Liquid ', '2 . Density(g/mL,20ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1) Unknow ', '4 . Melting point(ºC)22-23 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,3mm hg)212-215 ', '7 . Refractive indexn 20/D 1532(lit) ', '8 . Flash point(ºC)>230°F ', '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 Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 能Soluble in 己烷石油醚乙酸乙酯 Ethanol 等,Insoluble in Water 。']
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :284 ', '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']
|