Exploratory analysis in thermodynamics of equilibria. Classification and prediction of benzoic acid strength in aqueous-organic solvents

被引：7

作者：

Bondarev, N. V. ^{[1
]}

机构：

[1] Kharkov Natl Univ, Pl Svobody 4, UA-61022 Kharkov, Ukraine

来源：

RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2016年 / 86卷 / 06期

关键词：

multivariate analysis; clusterization; dissociation constant; benzoic acid; empirical parameter; regression model; DISCRIMINANT-ANALYSIS; DISSOCIATION; WATER; CONSTANTS; MIXTURES;

D O I：

10.1134/S1070363216060025

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Decisive rule for classification and prediction of benzoic acid strength from dielectric constant and Kamlet-Taft parameter of the mixed solvents (water-methanol, water-ethanol, and water-2-propanol) has been elaborated basing on the results of multivariate exploratory analysis. The rule has been verified using the independent experimental data on dissociation constant of benzoic acid in water-dioxane and water-dimethylsulfoxide mixtures. Two-parameter linear regression model of the Gibbs energy of benzoic acid dissociation as a function of the properties of aqueous-alcoholic solvents has been built, and the contributions of dielectric and cohesion medium properties to the decrease in the acid strength have been shown.

引用

页码：1221 / 1228

页数：8

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