Calculation of retention indices for benzene and benzene derivatives on the basis of molecular structure

The Kovats retention index system for the presentation of gas chromatographic data has become widely used l. Methods have been proposed for the prediction of retention indices based on boiling point or other physical data2J. Other studies have been made to determine the relationship between molecular structure and retention inde&s. Once this relationship has been determined the prediction of retention indices, is quite accurate. Most of the previous studies were concerned with aliphatic hydrocarbons. For this reason, an investigation of benzene, its derivatives and, the retention indices of these compounds was undertaken.