Zhang, C.; Feng, L.; Wei, J. Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors. Chin. Sci. Bull. 2002, 47, 1270.
Compound
| ID: | 19 | |
|---|---|---|
| Name: | Chlorobenzene | |
| Description: | ||
| Labels: | ||
| CAS: | 108-90-7 | |
| InChi Code: | InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 3.518 |
experimental value |
| 3.586 |
Eq.5: Model for volatile organic compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020298 | US EPA CompTox Dashboard |