10967/190 - QDB Compounds

QsarDB Repository

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:4
Name:1-butanol
Description:
Labels:
CAS:71-36-3
InChi Code:InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
3.699

experimental value

3.867

Eq.5: Model for volatile organic compounds (Training set)

Links to External Resources