Empirical method for consideration of solvent effect on the dissociation constants of carboxylic acids

An empirical method was used to calculate 363 dissociation constants of 33 benzoic and acetic acid derivatives in 11 solvents. The relative error in the calculations did not exceed 9.5%, and the average error was no higher than 3%. The calculated values were compared with those obtained by quantum-c...

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Veröffentlicht in:	Russian journal of organic chemistry 2008, Vol.44 (1), p.52-61
Hauptverfasser:	Zevatskii, Yu. E, Samoilov, D. V
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Organic Chemistry
Online-Zugang:	Volltext
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