An Improved Qsar Analysis of the Toxicity of Aliphatic Carboxylic Acids

Results for a QSPR study of the acidity of carboxylic acids in aqueous solution are reported. The molecular set comprises 35 carboxylic acids with their corresponding pK values in water. Molecular and topological parameters comprises state E, molar refractivity, refraction index, log K, E, surface tension and polarizability. Estimations are quite reasonable and they improve previous theoretical calculations.