Figure 2.

Correlation diagram for the empirical conversion method (ECM). ECM versus measured pK_a values are plotted for the first data set. The ECM pK_a values are evaluated according to eq 9 using the pK_a values in water obtained with the Jaguar pK_a prediction method (JPM)^28,29 as the basis. The three outliers for MeCN are denoted by black crosses (+). The numerical values of the pK_a are listed in Tables S1–S7 of the Supporting Information. The left part of the figure displays all of the data. The right part is a close-up that focuses on the center pH interval.