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: | 90 | |
|---|---|---|
| Name: | Crotonaldehyde | |
| Description: | ||
| Labels: | diketones_and_unsaturated_ketones | |
| CAS: | 123-73-9 | |
| InChi Code: | InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 14.29 |
experimental value |
| 14.63 |
Eq1: Full model (Training set) |