Table 9. Imaginary Frequencies (ν*, cm^–1) at the Transition States, Tunnelling Coefficients (κ), and TST Thermal (k^HAT, M^–1 s^–1) and Diffusion-Corrected Apparent (k_app^HAT, M^–1 s^–1) Rate Constants, at 298 K, in the HAT Hydrogen Abstractions by •OH Radical, in Pentylethanoate.

path	ν*	k	kHAT	kappHAT
solvent = pentylethanoate
C3	–844	2.22	7.35 × 108	4.59 × 108
C4	–1409	4.44	1.56 × 1010	1.13 × 109
Cα proximal	–1123	3.27	1.43 × 1010	1.12 × 109
Cα distal	–697	1.77	3.98 × 1010	1.18 × 109
Cβ proximal	–688	1.81	6.05 × 109	1.01 × 109
Cβ distal	–679	1.79	3.79 × 109	9.23 × 108
C NH2	–757	2.07	9.38 × 109	1.08 × 109