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: | 16 | |
|---|---|---|
| Name: | 4-methyl-2-pentanone | |
| Description: | ||
| Labels: | ||
| CAS: | 108-10-1 | |
| InChi Code: | InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 3.041 |
experimental value |
| 3.195 |
Eq.5: Model for volatile organic compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5021889 | US EPA CompTox Dashboard |