Table 5.

Predicted and experimental total solvation free energies for 17 small compounds.

Compound	Area (Å2)	Volume (Å3)	Gnp	ΔGp	ΔG	Exptl	Error
			(kcal/mol)
glycerol triacetate	241.34	234.11	2.33	−12.36	−10.03	−8.84	−1.19
benzyl bromide	150.66	136.36	1.39	−4.87	−3.47	−2.38	−1.09
benzyl chloride	148.14	133.84	1.36	−5.06	−3.70	−1.93	−1.77
m-bis(trifluoromethyl)benzene	266.67	306.86	2.22	−3.30	−1.07	1.07	−2.14
N,N-dimethyl-p-methoxybenzamide	209.31	202.02	1.99	−9.22	−7.22	−11.01	3.79
N,N-4-trimethylbenzamide	200.27	193.25	1.91	−7.84	−5.93	−9.76	3.83
bis-2-chloroethyl ether	155.71	130.90	1.44	−4.16	−2.71	−4.23	1.52
1,1-diacetoxyethane	177.82	160.48	1.67	−8.21	−6.53	−4.97	−1.56
1,1-diethoxyethane	163.66	143.73	1.55	−4.63	−3.08	−3.28	0.20
1,4-dioxane	109.56	143.73	1.01	−5.64	−4.62	−5.05	0.43
diethyl propanedioate	195.06	182.22	1.87	−7.75	−5.88	−6.00	0.12
dimethoxymethane	109.17	88.36	1.02	−4.64	−3.62	−2.93	−0.69
ethylene glycol diacetate	168.19	160.95	1.62	−8.40	−6.78	−6.34	0.44
1,2-diethoxyethane	169.25	141.92	1.57	−4.40	−2.83	−3.54	0.71
diethyl sulfide	133.81	116.84	1.22	−2.40	−1.17	−1.43	0.26
phenyl formate	148.14	134.84	1.37	−7.82	−6.45	−4.08	−2.37
imidazole	89.05	68.59	0.80	−11.56	−10.76	−9.81	−0.95