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: | 3 | |
|---|---|---|
| Name: | Hexanal | |
| Description: | ||
| Labels: | aldehydes | |
| CAS: | 66-25-1 | |
| InChi Code: | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 13.8 |
experimental value |
| 14.6 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021604 | US EPA CompTox Dashboard |