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: | 113 | |
|---|---|---|
| Name: | 2,2,4-Trimethylpentane | |
| Description: | ||
| Labels: | alkanes | |
| CAS: | 540-84-1 | |
| InChi Code: | InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 16.05 |
experimental value |
| 15.14 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024370 | US EPA CompTox Dashboard |