Table 2.

Kinetic characteristics ¹ of the selected steps of the CL reaction of ATEs.

Step No.	Compound	Gaseous Phase			Aqueous Phase
		Δr,298H0	Δr,298G0	298k0(298τ99)	Δr,298G0
TS-III	a–h	12.9	14.2	2.5 × 102 (1.9 × 10−2)	15.6
	i–l	12.8	14.2	2.4 × 102 (1.9 × 10−2)	14.5
TS-VIII	a	2.1	0.3	4.1 × 1012 (1.1 × 10−12)	2.1
	b	2.3	1.2	8.9 × 1011 (5.2 × 10−12)	1.6
	c	1.9	0.9	1.3 × 1012 (3.4 × 10−12)	2.4
	d	2.4	1.7	3.8 × 1011 (1.2 × 10−11)	0.5
	e	2.4	1.1	1.0 × 1012 (4.5 × 10−12)	2.1
	f	1.1	0.4	3.2 × 1012 (1.5 × 10−12)	1.3
	g	3.1	2.2	1.5 × 1011 (3.1 × 10−10)	2.8
	h	0.5	0.4	3.4 × 1012 (1.3 × 10−12)	0.3
	i	2.7	1.5	4.8 × 1011 (9.5 × 10−12)	2.4
	j	2.3	1.2	8.6 × 1011 (5.4 × 10−12)	2.0
	k	2.5	1.5	4.9 × 1011 (9.3 × 10−12)	2.0
	l	2.5	0.8	1.7 × 1012 (2.7 × 10−12)	2.7
TS-XI	a–h	43.6	45.3	4.1 × 10−21(1.1 × 1021)	43.3
	i–l	35.1	36.9	6.0 × 10−15(7.7 × 1014)	36.1

¹ Δ_a,298H⁰ and Δ_a,298G⁰ (both in kcal mol⁻¹), respectively, represent the enthalpy and Gibbs’ free energy (gaseous phase) or free energy (aqueous phase) of activation at standard temperature and pressure; ₂₉₈k⁰ (in s⁻¹) and ₂₉₈τ₉₉, respectively, denote the rate constant and the time after which the reaction is 99% complete.