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: | 60 | |
|---|---|---|
| Name: | 1,3,5-Trimethylbenzene | |
| Description: | ||
| Labels: | aromatics | |
| CAS: | 108-67-8 | |
| InChi Code: | InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 15.06 |
experimental value |
| 15.16 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6026797 | US EPA CompTox Dashboard |