Measured pH 1.68 3.76 5.09 6.91 7.83 8.79 Measured solubility 0.6795 0.5835 0.0982 0.6469 0.7288 0.2697 Re-calculated solubility (Mat-pKa) 0.6751# 0.5834# 0.5827 0.5827* 0.5827* 0.5827

Results highlighted with # indicates values in the range ± 10%; Results highlightedwith * indicates values in the range ± 30%; Results highlighted in italics indicates values in the range ± 100%

Table 8: Experimental and re-calculated solubilities of the compound in 40% of CH3CN co-solvent