If the titration pK values of a dibasic acid are called pK +/- logp, then its molecular pK values are pK +/- log(p+1/p). If the pH values at which the concentration of its monoprotonated form is half-maximal are called pK +/- logq, then its molecular pK values are pK +/- log(q-4+1/q).
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H. B. F. Dixon (1979) studied this question.
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