. 2011 Sep 16;115(42):12234–12246. doi: 10.1021/jp206347u

Table 12. Relative Energies (Including ZPE) and Gibbs Free Energies at 298 K, in kcal mol^–1, in the Phenolic H Abstractions by •OOH Radical, in Pentylethanoate.

path	ΔE₁	ΔE^ddr	ΔE	ΔG₁	ΔG^‡	ΔG
solvent = pentylethanoate
C3	–2.19	6.51	–5.64	4.67	14.10	–7.81
C4	–2.21	5.93	–6.65	4.38	13.17	–9.07

Table 12. Relative Energies (Including ZPE) and Gibbs Free Energies at 298 K, in kcal mol–1, in the Phenolic H Abstractions by •OOH Radical, in Pentylethanoate.