ABSTRACT

In this chapter we describe applications of quantitative structure-activity relationship (QSAR) methods to oxyacids, including alcohols, phenols, carboxylic acids, phosphonic acids, hydroxamic acids, silanols, and thiols. What these acids have in common is that dissociation of the acid proton occurs from an oxygen-hydrogen (or an analogous sulfur-hydrogen) bond. When not otherwise referenced the pKa values cited have been taken from the CRC Handbook of Chemistry and Physics [262].