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. 2015 Apr 27;137(20):6680–6691. doi: 10.1021/jacs.5b03284

Table 2. Estimated and Reported pKa Values of Acids in 1,2-Dichloroethane Relative to 2,4,6-Trinitrophenol (see SI for Details).

acid base relative pKa (DCE)
AcOH AcO– 15.5a
HA1 A1– 12b
HA4 A4– 3c
HCl Cl– –0.4d
HA6 A6– –5.2c
a

Calculated value from ref (73).

b

estimated using COSMO-RS calculations.

c

estimated using experimental pKa values in acetonitrile.

d

experimental value from ref (75).