Abstract
Thermodynamic data of proton dissociation of 75 organic acids belonging to four classes (protonated amines, aliphatic carboxylic acids, benzoic acids, phenols) have been processed by multivariate chemometric techniques. The variables consist of conventional thermodynamic quantities (Gibbs function, enthalpy, entropy) and of partial components of these quantities (internal and external, electrostatic and nonelectrostatic components). The above data refer to the aqueous medium, at 25 °C and I = 0 mol dm−3. The Gibbs function of deprotonation in the gas phase and the Hammett σ constant have also been considered. Multivariate techniques include Principal Component Analysis, Factor Analysis, and feature selection. Factor Analysis and related concepts have proved to be useful in defining the causes of differences in acid strengths and their respective importance. Keywords: acid dissociation data, chemometrics of; chemometrics of acid dissociation data; factor analysis of acid dissociation data; principal component analysis of acid dissociation data; thermodynamics of acid dissociation.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
3 articles.
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