Friday, 6 January 2017

How do I predict the solubility of a compound in a mixture of water and an organic co-solvent?



I'm trying to predict the solubility of long alcohols (e.g. 1-octanol, 1-decanol or 1-dodecanol) in a mixture of water and an organic co-solvent such as DMSO, acetonitrile or ethyl acetate.


For example, decanol in water with 25% DMSO or saturated with ethyl acetate (8.3%). I of course know the solubility of alcohols in water, but not in organic solvents or in mixtures.


I found a server to predict the solubility of any compound in any solvent, but I'm not sure how accurate it is and it only does predictions for pure solvents, not mixtures: http://showme.physics.drexel.edu/onsc/models/multisolvent.php


Any input on this would be greatly appreciated!




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