|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 295 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :293 ', '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 Colourless Liquid 。 ', '2 . Density(g/mL,20℃)09112 ', '3 . Relative vapor density(g/mL,Atmosphere =1)36 ', '4 . Boiling point(ºC,Atmospheric pressure)15136 ', '5 . Refractive index(20ºC)14133 ', '6 . Flash point(ºC,闭杯)53 ', '7 相对蒸发速度( Ethyl ether =1)68 ', '8 . Vapor pressure(kPa,25ºC)039 ', '9 . Solubility Soluble in 大多数有机溶剂,与Water 互溶。 ', '10 相对. Density(20℃,4℃)09112 ', '11 . Critical temperature(ºC)34185 ', '12 . Critical pressure(MPa)365 ', '13 临界. Density(g·cm-3)0286 ', '14 临界体积(cm3·mol-1)364 ', '15 临界压缩因子0260 ', '16 偏心因子0783 ', '17 溶度参数(J·cm-3)0520006 ', '18 van der Waals面积(cm2·mol-1)9580×109 ', '19 van der Waals体积(cm3·mol-1)66320 ', '20 液相标准热熔(J·mol-1·K-1) 2005']
|