Table 11.

Comparison of free energies (kcal/mol) for 17 compounds

Compound	Gnp	ΔGp	ΔG	Exptl	Error
glycerol triacetate	2.27	−12.44	−10.16	−8.84	−1.32
benzyl bromide	1.40	−4.89	−3.49	−2.38	−1.11
benzyl chloride	1.35	−5.02	−3.68	−1.93	−1.75
m-bis(trifluoromethyl)benzene	2.22	−3.22	−1.00	1.07	−2.07
N,N-dimethyl-p-methoxybenzamide	1.96	−9.20	−7.24	−11.01	3.77
N,N-4-trimethylbenzamide	1.86	−7.67	−5.81	−9.76	3.95
bis-2-chloroethyl ether	1.45	−4.22	−2.77	−4.23	1.46
1,1-diacetoxyethane	1.65	−8.24	−6.59	−4.97	−1.62
1,1-diethoxyethane	1.52	−4.40	−2.88	−3.28	0.40
1,4-dioxane	1.01	−5.65	−4.64	−5.05	0.41
diethyl propanedioate	1.82	−7.85	−6.03	−6.00	−0.03
dimethoxymethane	1.03	−4.52	−3.50	−2.93	−0.57
ethylene glycol diacetate	1.59	−8.43	−6.84	−6.34	0.50
1,2-diethoxyethane	1.55	−4.31	−2.76	−3.54	0.78
diethyl sulfide	1.22	−2.39	−1.17	−1.43	0.26
phenyl formate	1.37	−7.84	−6.48	−4.08	−2.40
imidazole	0.82	−11.27	−10.45	−9.81	−0.64