Solubility-Kow Correlations

Quantitative relationships between Kow and Csw have been reviewed by Isnard and Lambert [11]. These authors developed a model based on 300 structurally diverse compounds. The model equation for liquids (Tm 25°C) is 

Bowman and Sans [12] measured Kow and water solubilities at 20°C for liquid and solid carbamates and organophosphorous insecticides and related compounds. Based on these data, they derived the following equation  

0 Substituted benzenes alkyl, fluoromethyl, chloro, iodo, hydroxy, nitro. 

6 1-Chloro- and 1-bromoalkanes, 1-iodoheptane, mono- and polyhalogenated alkenes. c+ 2-Ethyl-1,3-hexanediol. d 2-Alkanones, 3-pentanone, acetal, 2-furaldehyde. e+ 2-Bromoethyl ethanoate. 

Source Ref. 13. Reprinted with permission. Copyright (1982) American Chemical Society. 

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Solubility-Kow Correlations The decrease of aqueous solubility results into increased hydrophobicity. This qualitative, inverse relationship is demonstrated for N-containing aromatic heterocyclic compounds in Figure 13.2.1. 

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