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: | 37 | |
|---|---|---|
| Name: | 3-Methylpentane | |
| Description: | ||
| Labels: | alkanes | |
| CAS: | 96-14-0 | |
| InChi Code: | InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 15.66 |
experimental value |
| 15.56 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8052647 | US EPA CompTox Dashboard |