Gramatica, P.; Pilutti, P.; Papa, E. Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors. Atmos. Environ. 2003, 37, 3115–3124.
Compound
| ID: | 23 | |
|---|---|---|
| Name: | β-Caryophyllene | |
| Description: | ||
| Labels: | ||
| 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/b11-6+/t13-,14-/m1/s1 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [-log(cm3/(s.{molecule}))]
| Value | Source or prediction |
|---|---|
| 10.72 |
experimental value |
| 11.75 |
Model: Model for organic pollutants (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8024739 | US EPA CompTox Dashboard |