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: | 32 | |
|---|---|---|
| Name: | Styrene | |
| Description: | ||
| Labels: | ||
| CAS: | 100-42-5 | |
| InChi Code: | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 3.74 |
experimental value |
| 3.532 |
Eq.5: Model for volatile organic compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021284 | US EPA CompTox Dashboard |