10967/223 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for abiotic degradation in air. Q13-22a-0034. Molcode Ltd., 2010.

Compound

ID:224
Name:hexanoic acid
Description:
Labels:
CAS:142-62-1
InChi Code:InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

Properties

logT(0.5): Degradation half-life in air [log(h)]

ValueSource or prediction
1.74

experimental value

1.9

QSAR: Model for degradation half-life (Test set)