Table 5.
Reaction 1 summary of Brønsted plot and estimated parameters (25°C, I = 0.1 M).
| Acid Catalyst |
pKa | p | q | Model Implemented K1a±95% CId |
Brønsted Plot k1 (M−2 s−1) |
Model Estimated |
Br0nsted Estimated |
|
|---|---|---|---|---|---|---|---|---|
| H2O | 15.52 | 2 | 3 | −15.34 | 1.1±0.095 | 2.0×10−2b | −2.0 | |
| HPO42− | 11.71 | 1 | 4 | −11.11 | 12 | 12 | 1.1 | |
| HCO3− | 9.88 | 1 | 3 | −9.40 | 200±6.6 | 200 | 2.3 | |
| NH4+ | 9.24 | 4 | 1 | −9.84 | 98±14 | 98 | 1.4 | |
| H2PO4− | 6.75 | 2 | 3 | −6.57 | (3.4±0.044)×105 | 3.4×105 | 5.2 | |
| H+ | −1.74 | 3 | 2 | 1.56 | (6.8±0.82)×108 | 6.8×108 | 8.4 | |
| H2CO3 | 3.23e | 2 | 2 | −3.23 | 2.4×103 | 1.9×106c | 6.0 | |
| H3PO4 | 1.93 | 3 | 2 | −2.11 | 1.4×107 | 1.4×107 | 6.7 | |
| K1 | 2.1±0.024 |
Model k1 values are in M−2 s−1 except H2O which is in M−2 s−1 and k1 which is the equilibrium constant for reactions 1 and −1
Model k1 divided by 55.5 M to arrive at Br0nsted k1
Model k1 is based on H2CO3 ; therefore, model k1 value was multiplied by 795, , to arrive at Br0nsted k1
95% confidence interval (CI) provided for model estimated parameters only
pKa is for true H2CO3 concentration