KI - Liquid-Liquid Partition Coefficients

The DDB-KI data bank was originally started for the storage of octanol-water partition coefficients (KOW). Based on these data, a special KOW-UNIFAC had been developed. Currently the databank contains only KOW-data but an extension to liquid-liquid distribution coefficients for other systems is planned.

As an example, the experimental octanol-water distribution coefficients for hexachlorobenzene as function of temperature are shown on the right hand side. At 25°C the data cover a range of nearly 3.5 orders of magnitude.

Numerous publications reporting this value come from sources with limited experience in the field of experimental determination of thermophysical properties and were published in journals focusing on environmental science. It is therefore of great importance to have a large database available and not rely on limited information from only a single reference.

 KI contains 10,726 data points for 3,781 components from 473 references (Version 2011).

Selected Scientific Papers

1998   Prediction of Octanol-Water Partition Coefficients, Henry Coefficients and Water Solubilities Using Unifac   Wienke G., Gmehling J.   Journal   Toxicol.Environ.Chem., 65, 1, 57 86 (1998)
1993   Vorausberechnung von Octanol/Wasser-Verteilungskoeffizienten mit Hilfe der UNIFAC-Methode   Dallos A., Wienke G., Ilchmann A., Gmehling J.   Journal   Chem.Ing.Tech., 65, 2, 201 203 (1993)

Selected Scientific Papers (Experimental Data)

1998   Enantiomerentrennung mit der Fluessig/Fluessig-Gegenstromchromatographie   Buchholz K., Schulte B., Gmehling J., Martens J.   Journal   Chem.Ing.Tech., 70, 7, 850 856 (1998)
1993   Bestimmung von Verteilungskoeffizienten mit Hilfe der Fluessig/Fluessig-Gegenstrom-Chromatographie   Ilchmann A., Wienke G., Meyer T., Gmehling J.   Journal   Chem.Ing.Tech., 65, 1, 72 75 (1993)
1991   Die Fluessig-Fluessig-Gegenstromchromatographie - Eine zuverlaessige Methode zur Bestimmung von Verteilungskoeffizienten   Ilchmann A., Wienke G., Meyer T., Gmehling J.   internal report   Unpublished Data, 180, 2, 1 11 (1991)

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