PREDICTION OF THE GAS-CHROMATOGRAPHIC RETENTION VALUES OF CHLOROBENZENES ON DIFFERENT STATIONARY PHASES BY USING STRUCTURE-RETENTION CORRELATIONS

The retention values (capacity factors or retention indices) of the is omers of chlorobenzenes with two to six chlorine atoms were predicted by using structure-retention correlations and the calculated contribut ions of the ortho, meta and para positions of the substituent atoms on the aromatic ring. The method permits the prediction of the retention of every isomer by starting from the measured retention of a few comp ounds, and does not require the use of all of the possible isomers as standard samples for the identification in complex mixtures. (C) 1998 Elsevier Science Ltd.