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. 2017 Apr 15;3(5):407–414. doi: 10.1021/acscentsci.7b00037

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)
a

Subscript 1 or −1 stands for forward or backward reaction, respectively.

b

ΔGr, ΔHr, and ΔH are in units of kcal/mol; ΔSr in (cal·mol–1·K–1).

c

Numbers in parentheses are the statistical uncertainties.