Empirical Considerations of Entropy. III. A Structural Approach to the Entropies of Aqueous Organic Solutes and Complex Ions

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Abstract
A method for estimating the entropy of complex aqueous organic solutes and related species has been developed by a structural extension of a method of Powell and Latimer for simple solutes. The agreement between calculated and observed values is, in general, good, although systematic deviations begin to occur for very complicated and large solutes. The method is extended to the calculation of the entropies of charged organo-metallic complex ions with good success, and possible applications to systems of biological interest are indicated. Subsequent to the development of the general method for estimating the entropies of aqueous solutes, an empirical equation is also given for calculating gaseous entropies of both inorganic (ionic) and organic molecules from their structures.