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: | 33 | |
|---|---|---|
| Name: | beta-Caryophyllene | |
| Description: | ||
| Labels: | alkenes | |
| CAS: | 87-44-5 | |
| InChi Code: | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 10.72 |
experimental value |
| 11.69 |
Eq1: Full model (Training set) |