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: | 121 | |
|---|---|---|
| Name: | 3-Methylbutanal | |
| Description: | ||
| Labels: | aldehydes | |
| CAS: | 590-86-3 | |
| InChi Code: | InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 13.72 |
experimental value |
| 14.56 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021619 | US EPA CompTox Dashboard |