QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale

Abstract

A three-parameter QSPR equation with R2 ) 0.936 was developed for the unified nonspecific solvent polarity scale (S′) on the basis of theoretical molecular descriptors. It correlates S′ for 25 structurally diverse solvents within a 5% average absolute error. The correlation equation includes the following three orthogonal theoretical molecular descriptors… (More)
DOI: 10.1021/ci970011k

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