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: | 127 | |
|---|---|---|
| Name: | 1,3-Ethylmethylbenzene | |
| Description: | ||
| Labels: | aromatics | |
| CAS: | 620-14-4 | |
| InChi Code: | InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 15.36 |
experimental value |
| 15.28 |
Eq1: Full model (Training set) |