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: | 1 | |
|---|---|---|
| Name: | 1,1,1-trichloroethane | |
| Description: | ||
| Labels: | ||
| CAS: | 71-55-6 | |
| InChi Code: | InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3 |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 2.58 |
experimental value |
| 2.639 |
Eq.5: Model for volatile organic compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0021381 | US EPA CompTox Dashboard |