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: | 58 | |
|---|---|---|
| Name: | 2,4-Dimethylpentane | |
| Description: | ||
| Labels: | alkanes | |
| CAS: | 108-08-7 | |
| InChi Code: | InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 15.82 |
experimental value |
| 15.26 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2059358 | US EPA CompTox Dashboard |