|
More_Info:
|
['1 液相标准声称热(焓)( kJ·mol-1)-40150 ', '2 . Density(g/mL,25/4℃)0759 ', '3 液相标准. Combustion heat(焓)(kJ·mol-1)-531904 ', '4 . Melting point(ºC) ', '5 . Boiling point(ºC,Atmospheric pressure)121 ', '6 液相标准热熔(J·mol-1·K-1)2811 ', '7 常温. Refractive index(n25)1393 ', '8 溶度参数(J·cm-3)0514953 ', '9 van der Waals面积(cm2·mol-1)1292×1010 ', '10van der Waals体积(cm3·mol-1)92400 ', '11 气相标准. Combustion heat(焓)(kJ·mol-1)-536004 ', '12 气相标准声称热(焓)( kJ·mol-1) -36049 ', '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 。']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :496 ', '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']
|