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
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.