APPLICATION OF THE CHARACTERISTIC ROOT INDEX MODEL TO THE ESTIMATION OF N-OCTANOL WATER PARTITION-COEFFICIENTS - POLYCHLORINATED-BIPHENYLS

Authors
Citation
Mt. Sacan et Y. Inel, APPLICATION OF THE CHARACTERISTIC ROOT INDEX MODEL TO THE ESTIMATION OF N-OCTANOL WATER PARTITION-COEFFICIENTS - POLYCHLORINATED-BIPHENYLS, Chemosphere, 30(1), 1995, pp. 39-50
Citations number
39
Categorie Soggetti
Environmental Sciences
Journal title
ISSN journal
00456535
Volume
30
Issue
1
Year of publication
1995
Pages
39 - 50
Database
ISI
SICI code
0045-6535(1995)30:1<39:AOTCRI>2.0.ZU;2-7
Abstract
The ability of the Characteristic Root Index (CRI) to predict the n-oc tanol/water partition coefficients (K-ow) of polychlorinated biphenyls (PCBs) has been demonstrated. The CRI for 58 congeners were calculate d from the roots of the characteristic polynomial obtained from a squa re matrix comprising all possible orders of valence connectivity index - except zero order - for a congener as the entry. The correlation pr oposed for the estimation of K-ow of PCBs based on the CRI model conta ins only one variable and predicts log K-ow with high regression coeff icient (r=0.998) and may be regarded satisfactory for environmental ap plications.