Thermodynamics of mobile order theory. Part 3. Comparison of experimental and predicted solubilities for fluoranthene and pyrene

Experimental solubilities are reported for fluoranthene dissolved in eleven organic solvents at 25.0 degrees C and for pyrene dissolved in thirteen di fferent organic nonelectrolyte solvents at 26.0 degrees C. Solvents studied contained chloro-, cyano-, hydroxy-, fluoro-, ester- and amide-functional groups. Results of these: measurements, combined with previously published solubility data, are used to test the applications and limitations of expre ssions derived from Mobile Order theory. For the 42 solvents for which pred ictions could be made computations show that Mobile Order theory does provi de fairly reasonable (although by no means perfect) estimates of the satura tion mole fraction solubilities. Average absolute deviations between predic ted and observed values are circa 47% and 68% for fluoranthene and pyrene, respectively, if acetonitrile is excluded from the comparison. The average absolute deviations increase significantly to 1940% (flouranthene) and 1780 % (pyrene) when ideal solution behavior is assumed.