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: | 29 | |
|---|---|---|
| Name: | n-heptane | |
| Description: | ||
| Labels: | ||
| CAS: | 142-82-5 | |
| InChi Code: | InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 2.505 |
experimental value |
| 2.555 |
Eq.5: Model for volatile organic compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6024127 | US EPA CompTox Dashboard |