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: | 146 | |
|---|---|---|
| Name: | Pinonaldehyde | |
| Description: | ||
| Labels: | diketones_and_unsaturated_ketones | |
| CAS: | 2704-78-1 | |
| InChi Code: | InChI=1S/C10H16O2/c1-7(12)9-6-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 13.7 |
experimental value |
| 14.43 |
Eq1: Full model (Training set) |