title: Experimental determination and prediction of the gas-liquid n-hexadecane partition coefficients.
abstract: Experimental methods based on gas-phase chromatography were tested with a view to determine the gas-liquid n-hexadecane partition coefficients, log L16 of non-volatile compounds at 298.2 K. It was demonstrated that reliable values of log L16 of compounds more volatile than n-docosane can be obtained using either capillary, or packed columns. The main limitation of both methods is the column stability at high temperatures. Here we propose a new method based on the temperature gradient mode, to obtain log L16 of high-boiling compounds. A group contribution model is also presented in view to predicting log L16 values of non-volatile compounds.
authors.affiliation: Laboratoire de Thermodynamique et d'Analyse Chimique, Universite de Metz, France.
authors.forename: F
authors.initials: F
authors.lastname: Mutelet
authors.forename: M
authors.initials: M
authors.lastname: Rogalski
mesh_terms: D000473:Alkanes / Q000737:chemistry*; D002849:Chromatography, Gas; D005740:Gases; D013696:Temperature; D013816:Thermodynamics
chemical_list: D000473:Alkanes; D005740:Gases; C007932:n-hexadecane