PREDICTION OF GAS AND LIQUID-CHROMATOGRAPHIC RETENTION INDEXES OF POLYHALOGENATED BIPHENYLS

Gas chromatographic and liquid chromatographic retention indices of polyhalogenated biphenyl compounds are successfully modeled by using descriptors derived directly from the molecular structures. A five-variable regression equation with R2 = 0.989 and relative standard deviation of 2.2% was generated for the GC retention Indices of 53 PHBs. A five-variable regression equation with R2 = 0.968 and relative standard deviation of 8.5 % was generated for the LC retention Indices of 53 PHBs. The descriptors found to be important are analyzed. © 1990, American Chemical Society. All rights reserved.