Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :111 ', '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 Liquid ', '2 . Density(g/mL,25ºC)0858 ', '3 相对. Density(20℃,4℃)08562 ', '4 . Melting point(ºC)-37 ', '5 . Boiling point(ºC,Atmospheric pressure)2645 ', '6 相对. Density(25℃,4℃)08524 ', '7 . Refractive index(nD20)14845 ', '8 . Flash point(ºC)107 ', '9 常温. Refractive index(n25)14824 ', '10 . Spontaneous ignition point or ignition temperature(ºC)108 ', '11 液相标准热熔(J·mol-1·K-1)3873 ', '12 . Saturated vapor pressure(kPa,20ºC)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 不能拌and 的or 难以拌and ']
|