Koc Estimation Using Kow

Koo Estimation Using Kow The property used most often in estimation models for Koc is Kow. Correlations between Koc and Kow are represented by the following equation  

Gawlik et al. [7] and Lyman et al. [15] provide an overview of Koc versus Kow equations and Sabljic compares estimation results derived with various ow-based models [14]. Sabljic discusses and compares these models with respect to the inaccuracy and incompatibility of the experimental Kow and Koc data [16]. Most of those models apply for polynuclear aromatics, halogenated hydrocarbons, or certain classes of pesticides. Abdul et al. [17] report excellent agreement between the versus K0Vi model derived with their experimental data and the model derived with a larger set of data. Paya-Perez et al. [18] have studied relationships for chlorobenzenes and PCBs. They found, however, that the corresponding correlation based on Sw as the independent variable is better than the one based on Kov/. Vowles and Mantoura 

Bintein and Devillers [3] developed a model for alkylbenzenes, PAHs, halogenated alkanes, chlorinated benzenes, PCBs, and acids and bases. Their model has been derived from 229 Kp values (with %OC 0.1) recorded for 53 compounds. A test was performed on 500 other Kp values for 87 compounds. The model requires the input of the system parameter %OC and of two compound properties, Kow and pKa  

If a compound is nonacid or nonbase, CFa and CFb must equal zero. 

LSER Approach of Ho, Wang, Han, Zhao, Zhang, and Zou The LSER approach has been described for aqueous solubility in Section 11.4. In analogy to eq. 13.2.8 for Kov/, He et al. [21] have derived the following relationship for phenylsulfonyl alkanoates  

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