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: | 26 | |
|---|---|---|
| Name: | Isobutanol | |
| Description: | ||
| Labels: | ||
| CAS: | 78-83-1 | |
| InChi Code: | InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 3.415 |
experimental value |
| 3.335 |
Eq.5: Model for volatile organic compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0021759 | US EPA CompTox Dashboard |