Determination of Retention Factors of s-Triazines Homologous Series in Water Using a Numerical Method Basing on Ościk's Equation |
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Authors: | Janicka,M.,Kwietniewski,L.,Periš ić -Janjić , N. U. |
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Affiliation: | 1.Faculty of Chemistry, Department of Physical Chemistry, Maria Curie-Skłodowska University, M. Curie-Skłodowska Sq. 3, 20-031, Lublin, Poland ;2.Institute of Chemistry, Faculty of Sciences, Trg Dositeja Obradovica 3, 21000, Novi Sad, Serbia and Montenegro ; |
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Abstract: | The retention factors in pure water for a homologous series of s-triazines were calculated by a numerical method basing on Ościk's equation and were correlated with log k w values obtained by linear and parabolic extrapolation. Chromatographic data (log k w ) were compared with the software-calculated partition coefficients in the n-octanol/water system (Alog P, IAlog P, clog P, log P Kowin , xlog P, log P ACD and log P Chem.Off.) as alternative hydrophobicity indices. The effect of organic modifier (methanol and acetonitrile) and its concentration in the mobile phase used for log k w evaluation were investigated. Very good linear correlations were found between log k w values calculated by the numerical method and log P ACD , log P Chem.Off . and clog P values, independent of organic modifier type. |
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