Table 2.

Comparison of solvation free energies (kcal/mol) obtained from the present model and experimental data for 24 small molecules.

Compound	Na	Gnp	ΔGp	ΔGQM	ΔGtotal	Exptl74	Error
Ethanol	9	0.74	−6.33	0.61	−4.98	−5.01	0.03
Propionamide	12	1.02	−12.19	2.14	−9.03	−9.41	0.38
H2O	3	0.39	−7.55	0.86	−6.31	−6.30	−0.01
Phenol	13	1.21	−7.88	1.01	−5.66	−6.60	0.94
Methanethiol	6	0.7	−4.29	0.50	−3.08	−1.24	−1.84
Propionic acid	11	1.02	−7.73	0.87	−5.84	−6.47	0.63
Acetamide	9	0.82	−14.23	2.65	−10.76	−9.71	−1.05
Acetonitrile	10	0.87	−8.23	1.36	−5.99	−3.9	−2.09
Ethanethiol	9	0.87	−4.53	0.47	−3.19	−1.3	−1.89
Aniline	14	1.23	−9.34	1.15	−6.97	−5.49	−1.48
Methanol	6	0.57	−6.18	0.63	−4.98	−5.11	0.13
Acetic acid	8	0.83	−8.67	1.03	−6.81	−6.7	−0.11
1-methylcytosine	16	1.32	−23.9	5.96	−16.62	−18.4	1.78
Pyridine	11	0.98	−7.61	1.49	−5.14	−4.7	−0.44
9-methyladenine	18	1.45	−18.5	3.17	−13.88	−13.6	−0.28
1-methyluracil	15	1.28	−15.35	2.78	−11.29	−14.0	2.72
NH3	4	0.46	−5.12	0.87	−3.79	−4.29	0.50
4-cresol	16	1.35	−7.94	1.00	−5.58	−6.13	0.55
4-Methylimidazole	12	1.04	−15.88	3.84	−11.00	−10.25	−0.76
Methylethyl sulfide	12	1.03	−4.83	0.55	−3.25	−1.49	−1.76
n-Butylamine	16	1.08	−7.19	0.81	−5.29	−4.29	−1.00
3-Methylindole	19	1.42	−10.40	1.66	−7.32	−5.91	−1.41
Methylamine	7	0.54	−7.70	1.07	−6.09	−4.5	−1.59
Benzene	12	1.20	−4.69	0.51	−2.98	−0.9	−2.08
RMS error							1.31
Average error							1.06