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: | 12 | |
|---|---|---|
| Name: | 2-methyl-2-butanol | |
| Description: | ||
| Labels: | ||
| CAS: | 75-85-4 | |
| InChi Code: | InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3 |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 3.362 |
experimental value |
| 3.573 |
Eq.5: Model for volatile organic compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0041436 | US EPA CompTox Dashboard |