Chemometric Characterization of Differences in Chromatographic Retention Indices on Standard Polar and Nonpolar Phases as a Criterion for the Group Identification of Organic Compounds

The difference in retention indices on polar and nonpolar phases (RI) has been recommended since 1959 for the gas chromatographic group identification of organic compounds. However, reference data on this parameter for standard phases are presently lacking. To remedy this paradoxical situation at least in part, the paper presents statistically processed data on RI for 226 of the most comprehensively characterized series of compounds. The most important chemometric characteristics of the data sets are considered along with some ways using these values. Contrary to the currently accepted concepts, the additivity of RI values for the majority of series of polyfunctional compounds and their simpler analogues was proved. The main reasons for the absence of such additivity were considered.