Table 3. Gibbs Free Energies of Activation (ΔG^⧧, kcal/mol) and Rate Constants (k_app, k_f, M^–1 s^–1) at 298.15 K in the MA Oxidation by HOO^• Radicals in Water and Pentyl Ethanoate Solvents.

	pentyl ethanoate				water
mechanism		ΔH	ΔG⧧	κ	kapp	ΔG⧧	κ	kapp	f	kfb
SET								∼0	0.990
SPLET						6.1	16.3a	2.20 × 108	0.010	2.23 × 106
FHT	O11	6.0	15.9	74.0	2.20 × 103	17.8	56.4	3.16 × 101	0.990	3.13 × 101
koverall					2.20×103					2.23×106

^aThe nuclear reorganization energy (λ).

^bk_f = f·k_app.