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: | 166 | |
|---|---|---|
| Name: | 3-Isopropenyl-6-oxo-heptanal | |
| Description: | ||
| Labels: | diketones_and_unsaturated_ketones | |
| CAS: | 7086-79-5 | |
| InChi Code: | InChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10H,1,4-6H2,2-3H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 12.59 |
experimental value |
| 13.66 |
Eq1: Full model (Training set) |