The Open Applied Informatics Journal

2009, 3 : 12-21
Published online 2009 June 19. DOI: 10.2174/1874136300903010012
Publisher ID: TOAINFOJ-3-12

Solvation Parameters. Part 4: What is the Impact of Recent Chromatographic Data Update?

P. Laffort and P. Héricourt
CNRS, Centre des Sciences du Goût UMR 5170, 15 rue Hugues Picardet, F.21000 Dijon, France.

ABSTRACT

Accurate solvation parameters have been established using solely gas/liquid partition data by gas/chromatography from the Kováts group (Laffort et al. J. Chromatog. A, 2005, 1100, 90-107). Because these chromatographic data have been recently updated (Kováts and Kresz, J. Chromatog. A, 2006, 1113, 206-219), the solvation parameters of the involved solutes and stationary phases have been entirely computed on again. It appears from this enquiry that the solute paramers values (127 compounds) are almost identical, whereas solvent parameters (11 stationary phases) have been slightly improved. A simple method of stationary phases classification is derived from these results, as well as a method for further determination of solute parameters.