AQUAFAC approach

AQUAFAC Approach The AQUAFAC approach is based on the following solubility equation [48,49] ... 

We recommended two of these methods for general use, estimation from octanol-water partition coefficient and a group contribution method named AQUAFAC. Three other methods are also valuable under certain circumstances, the connectivity, UNIFAC, and sol-vatochromic approaches. 

Table 7.3 gives the results of an analysis of the predictive capabilities of the AQUAFAC and partition coefficient approaches for 97 compounds. 

Two methods are recommended for routine use for estimating solubility the correlation with octanol water partition coefficient method and the AQUAFAC group contribution method. When possible, use both approaches and compare the results. Insights can also be obtained if solubility data are available for structurally similar compounds. Both methods are illustrated below. 

The other approach recommended by Mackay (2000) is a group contribution method to derive the molar activity coefficient, calculating the solubility (the AQUAFAC method, Myrdal et al. [1992 1993 1995]). 

---