Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :332 ', '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:
|
['一物性数据 ', '液相标准. Combustion heat(焓)(kJ·mol-1)-65687 ', '. Density(g/mL,25/4℃)0871 ', '液相标准声称热(焓)( kJ·mol-1)-2067 ', '. Melting point(ºC)9-10 ', '. Boiling point(ºC,Atmospheric pressure)201 ', '液相标准热熔(J·mol-1·K-1)2686 ', '. Refractive index1471 ', '. Flash point(ºC)149℉ ', '. Specific rotation(º)不可用 ', '. Spontaneous ignition point or ignition temperature(ºC)不可用 ', '. Vapor pressure(kPa,25ºC)不可用 ', '. Saturated vapor pressure(kPa,60ºC)不可用 ', '. Combustion heat(KJ/mol)不可用 ', '. Critical temperature(ºC)不可用 ', '. Critical pressure(KPa)不可用 ', '. Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion(%,V/V)不可用 ', '. Lower limit of explosion(%,V/V)不可用 ', '. Solubility 不可用']
|