Table 5.
Experimental equilibrium constant and gibbs free energy
| Experiment | PMGD, atm | PH2O, atm | PMG, atm | KP | ΔG°, kcal mol-1 |
| 1 | 1.08 × 10-5 | 1.25 × 10-3 | 5.40 × 10-5 | 159 | -3.13 |
| 2 | 1.06 × 10-5 | 1.24 × 10-3 | 5.40 × 10-5 | 157 | -3.12 |
| 3 | 1.07 × 10-5 | 1.23 × 10-3 | 5.40 × 10-5 | 161 | -3.13 |
| 4 | 3.16 × 10-5 | 1.59 × 10-3 | 1.29 × 10-4 | 154 | -2.98 |
Experimentally determined gas-phase water-mediated equilibrium constant, KP, values calculated using Eq. 2 for reaction R1 between MG and MGD and the experimentally determined Gibbs free energy, ΔG°, values calculated using Eq. 3. Temperature was 298 K. KP values have an error of ± 13.0 and ΔG° values have an error of ± 0.05 kcal mol-1.