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. 2018 Jan 14;140(5):1793–1804. doi: 10.1021/jacs.7b11463

Table 1. Average Values and Standard Deviations for Key Results from 10 MKM Solutionsa.

  Cl rate (ions/ms)
Cl:H ratio
E148 pKa
E203 pKa
pH exp avg SD avg SD avg SD avg SD
4.0 2.37 2.37 0.03 2.3 0.1 6.1 0.2 3.5 0.8
4.5 2.34* 2.35 0.01 2.2* 0.0* 6.2 0.1 3.6 0.9
5.0 2.24 2.26 0.02 2.2 0.0 6.2 0.0 3.7 0.9
5.5 1.99 2.00 0.02 2.2 0.0 6.2 0.0 3.7 0.9
6.0 1.46* 1.46 0.01 2.2* 0.0* 6.2 0.0 3.7 0.9
6.5 0.80 0.79 0.01 2.2 0.0 6.2 0.0 3.6 0.8
7.0 0.33 0.32 0.01 2.2 0.0 6.2 0.0 3.5 0.7
7.5 0.11* 0.11 0.00 2.2* 0.0* 6.2 0.0 3.4 0.6
a

Asterisks indicate points used to adjust the MKM parameters (rate coefficients); all other values are pure model predictions.