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A Method for Esterification Reaction Rate Prediction of Aliphatic Monocarboxylic Acids with Primary Alcohols in 1,4‐Dioxane Based on Two Parametrical Taft Equation
Author(s) -
Vojtko Ján,
Tomčík Peter
Publication year - 2014
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.20845
Subject(s) - chemistry , steric effects , alcohol , reaction rate constant , reaction rate , solvent , ionic strength , 1,4 dioxane , inert , equilibrium constant , primary (astronomy) , organic chemistry , thermodynamics , kinetics , catalysis , aqueous solution , physics , quantum mechanics , astronomy
Esterification reaction rates of aliphatic monocarboxylic acids with primary alcohols in 1,4‐dioxane as inert solvent were investigated. Acids were esterified with 1‐propanol and alcohols with acetic acid as model reactants at a constant temperature of 60°C, at a fixed ionic strength and pH in a batch reactor with a constant volume. For evaluation of reaction rates, an exact kinetic equation for the equilibrium reaction was applied. Under these conditions and for low reactants, concentrations reaction rate depends only on the structure of reactants and, therefore, can be predicted by a correlation equation with two Taft coefficients (inductive and steric effects). From these equations, it is possible to estimate the esterification reaction rate constant for other acid‐alcohol pairs. This methodology may also be suitable for other kinetic systems measured under comparable experimental conditions.