Table 1. Summary of Reaction Thermodynamics and Kinetics (under 300 K, 1 atm).
thermodynamics | kinetics | ||
---|---|---|---|
Keq | (5.0 ± 0.2) × 10–5 | k1a/s–1 | (2.0 ± 0.2) × 10–7 |
k–1/s–1 | (4.3 ± 0.4) × 10–3 | ||
ΔGrb | 5.90(0.07)c | ΔGr | 5.9 |
ΔHr | 12.3(0.5) | ΔH1‡ | 36(6) |
ΔSr | 21.5(0.7) | ΔH–1‡ | 23(4) |
Subscript 1 or −1 stands for forward or backward reaction, respectively.
ΔGr, ΔHr, and ΔH‡ are in units of kcal/mol; ΔSr in (cal·mol–1·K–1).
Numbers in parentheses are the statistical uncertainties.