Table 1. Parameters Obtained from Fitting the Equilibrium and Heat Capacity Models to the Calculated Rate for AHA at Different Temperatures7 (units of kilocalories per mole and kilocalories per mole per Kelvin).
| ΔHeq | ΔSeq | ΔH2⧧ | ΔS2⧧ | ΔH–2⧧ | ΔS–2⧧ | ΔH3⧧ | ΔS3⧧ | rlsa | |
|---|---|---|---|---|---|---|---|---|---|
| eq 3 | 32.0 | 0.10746 | – | – | – | – | 10.2 | –0.00925 | k3 |
| eq 3 | –32.0 | –0.10746 | – | – | – | – | –21.8 | –0.11671 | k3 |
| eq 5 | –32.0 | –0.10748 | –17.6 | –0.08459 | 14.4 | 0.02289 | 10.2 | –0.00924 | k3 |
| eq 5 | 32.0 | 0.10748 | –17.6 | –0.08459 | –49.6 | –0.19207 | –21.8 | –0.11672 | k3 |
| eq 5 | –27.8 | –0.07535 | –21.8 | –0.11672 | 6.0 | –0.04137 | 10.2 | –0.00924 | k3/k2 |
| eq 5 | 27.8 | 0.07535 | –21.8 | –0.11672 | –49.6 | –0.19207 | –17.6 | –0.08459 | k3/k2 |
| eq 5 | –4.2 | –0.03212 | 10.2 | –0.00924 | 14.4 | 0.02289 | –17.6 | –0.08459 | k2/k3 |
| eq 5 | 4.2 | 0.03212 | 10.2 | –0.00924 | 6.0 | –0.04137 | –21.8 | –0.11672 | k2/k3 |
a
Rate-limiting step at low/high temperatures.