Prediction of Gas Chromatographic Retention Indices of Benzene Dicarboxylic Diesters Using Novel Topological Indices

摘要

Benzene dicarboxylic diesters including phthaiates, isophthalates, and terephthalates are abundant chemicals commonly used in industry. Excessive use of benzene dicarboxylic diesters in industrial applications, mainly as plasticizers, has given rise to their persistent presence in consumer goods, and has raised numerous questions about their health effects or damage to the environment (Adams et al. 1995; Staples et al. 1997; Gomez-Hens and Aguilar-Caballos 2003; Balafas et al. 1999). Their widespread applications mean that they have become ubiquitous environmental contaminants. Benzene dicarboxylic diesters are often found in water, soil, air, food products and the human body, and this has led to extensive testing of benzene dicarboxylic diesters because of their possible health effects on humans or damage to the environment. More recent studies in several laboratories, have demonstrated that several benzoic esters have surprising 'anti-androgenic' activity (Li et al. 2003; Mylchreest