Papa, E.; Gramatica, P. Externally validated QSPR modelling of VOC tropospheric oxidation by NO3 radicals. SAR QSAR Environ. Res. 2008, 19, 655–668.
Compound
| ID: | 109 | |
|---|---|---|
| Name: | Sabinaketone | |
| Description: | ||
| Labels: | ketones | |
| CAS: | 513-20-2 | |
| InChi Code: | InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 15.22 |
experimental value |
| 14.15 |
Eq1: Full model (Training set) |