|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :126 ', '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 有馥郁茉莉花香气的Colourless Liquid 。 ', '2 . Density(g/mL,16/4℃)1055 ', '3 . Relative vapor density(g/mL,Atmosphere =1)51 ', '4 . Melting point(ºC)-513 ', '5 . Boiling point(ºC,Atmospheric pressure)213 ', '6 相对. Density(20℃,4℃)10550 ', '7 . Refractive index(20ºC)15232 ', '8 . Flash point(ºC,闭口) 102 ', '9 黏度(mPa·s,45ºC)0001399 ', '10 燃点(ºC)461 ', '11相对. Density(25℃,4℃)1044325 ', '12 常温. Refractive index(n25)14995 ', '13 蒸发热(KJ/mol,10~55ºC)6029 ', '14 溶度参数(J·cm-3)0519945 ', '15 van der Waals面积(cm2·mol-1)1088×1010 ', '16 比热容(KJ/(kg·K),328ºC,定压)103 ', '17 van der Waals体积(cm3·mol-1)84150 ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19. Solubility 在Water 中溶解023%。Insoluble in 甘油,但能与醇醚酮及脂肪烃芳香烃等混溶。 ', '20液相标准热熔(J·mol-1·K-1)2533']
|