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: | 18 | |
|---|---|---|
| Name: | 2-Methyl-1,3-butadiene | |
| Description: | ||
| Labels: | ||
| CAS: | 78-79-5 | |
| InChi Code: | InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [-log(cm3/(s.{molecule}))]
| Value | Source or prediction |
|---|---|
| 12.23 |
experimental value |
| 11.65 |
Model: Model for organic pollutants (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020761 | US EPA CompTox Dashboard |