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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 EMAIL logo , Zuzana Ferenčíková , Lucie Netolická and Aleš Vrána
From the journal Open Chemistry


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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