A consistent determination of the dimerization constants of the self-association of 2,2-dimethyl-3-ethyl-3-pentanol in carbon tetrachloride from its infrared spectral data

Abstract

Two equations of linear type (Eqs. 10 and 17 in the text) have been derived to analyze the IR data to determine the dimerization constant consistently. Equation 10 is to be used to fit the integrated absorbances of the monomer band to obtain the molar monomer absorptivity, epsilon(m), and dimerization constant, K; Eq. 17 is to be used to fit the integrated absorbances of the dimer bands to obtain the molar dimer absorptivity, epsilon(d), and dimerization constant, K. Thus the same dimerization constant can be independently determined either from the monomer band or from the dimer band. The discrepancy between the two determined values Provides an assessment of the consistency of determination. The monomer-dimer self-association of 2,2-dimethyl-3-ethyl-3-pentanol in the solvent of carbon tetrachloride was chosen to demonstrate the utility of these two equations.