10967/201 - QDB Compounds

QsarDB Repository

Gramatica, P.; Pilutti, P.; Papa, E. Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors. Atmos. Environ. 2003, 37, 3115–3124.

Compound

ID:51
Name:Tetrahydrofuran
Description:
Labels:
CAS:109-99-9
InChi Code:InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2

Properties

pkNO3: Degradation by NO3 radicals as -logkNO3 [-log(cm3/(s.{molecule}))]

ValueSource or prediction
14.31

experimental value

13.9

Model: Model for organic pollutants (Training set)

Links to External Resources