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: | 73 | |
|---|---|---|
| Name: | n-Heptane | |
| Description: | ||
| Labels: | ||
| CAS: | 142-82-5 | |
| InChi Code: | InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [-log(cm3/(s.{molecule}))]
| Value | Source or prediction |
|---|---|
| 15.86 |
experimental value |
| 15.39 |
Model: Model for organic pollutants (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6024127 | US EPA CompTox Dashboard |