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: | 89 | |
|---|---|---|
| Name: | Butanal | |
| Description: | ||
| Labels: | aldehydes | |
| CAS: | 123-72-8 | |
| InChi Code: | InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 13.96 |
experimental value |
| 14.78 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8021513 | US EPA CompTox Dashboard |