Correlation of physicochemical properties of alkylphenols with their graph-theoretical ε parameter

For a series of 40 alkylphenols, the graph-theoretical parameter s correlates very closely with physico-chemical parameters of interest in predicting environmental toxicity and fate, and especially with logKow (r = 0.998). Possible uses of this correlation are discussed, along with needs for extending the ε parameter to other types of molecules.