Table 5. Kinetic Data of the Reactions of HO^• and HOO^• Radicals with IsoH in Pentyl Ethanoate.

	Mechanisms		IFa(cm–1)	ΔG≠b(kcal/mol)	κc	Kd(M–1 s–1)	Γe(%)	koverall (M–1 s–1)
HOO•	f-HAT	2OH	–2515.6	18.3	609.3	1.40 × 102	100	1.40 × 102
HO•	RAF	C2	–329.9	6.3	0.0	1.60 × 108	4	4.48 × 109
		C3	–322.3	5.9	0.1	3.60 × 108	8
		C7	–309.8	4.8	0.0	3.60 × 109	80
		C10	–329.9	6.3	0.0	1.60 × 108	4
		C11	–233.2	6.1	0.1	2.00 × 108	4

^aImaginary frequency.

^bActivation free energy.

^cTunneling correction.

^dRate constant

^eBranching ratio.