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BY-NC-ND 3.0 license Open Access Published by De Gruyter Open Access December 16, 2010

The thermodynamic dissociation constant of naphazoline by the regression analysis of potentiometric data

Milan Meloun, Zuzana Ferenčíková, Lucie Netolická and Aleš Vrána
From the journal Open Chemistry

Abstract

The mixed dissociation constant of naphazoline is determined at various ionic strengths I [mol dm−3] in the range of 0.01 to 0.26 and at temperatures of 25°C and 37°C using ESAB and HYPERQUAD regression analysis of the potentiometric titration data. A strategy of efficient experimentation is proposed in a protonation constant determination, followed by a computational strategy for the chemical model with a protonation constant determination. Two group parameters, L 0 and H T were ill-conditioned in the model and their determination is therefore uncertain. These group parameters, L 0 and H T, can significantly influence a systematic error in the estimated common parameter pKa and they always should be refined together with pK a. The thermodynamic dissociation constant pK aT was estimated by nonlinear regression of {pK a, I} data at 25°C and 37°C: for naphazoline pK alT = 10.41(1) and 10.13(2). Goodness-of-fit tests for various regression diagnostics enabled the reliability of the parameter estimates to be found.

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Published Online: 2010-12-16
Published in Print: 2011-2-1

© 2011 Versita Warsaw

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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