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: | 18 | |
|---|---|---|
| Name: | Benzene | |
| Description: | ||
| Labels: | ||
| CAS: | 71-43-2 | |
| InChi Code: | InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 2.634 |
experimental value |
| 2.776 |
Eq.5: Model for volatile organic compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3039242 | US EPA CompTox Dashboard |