Table 5. Gibbs energy of transfer of one water molecule from liquid water to liquid hexadecane.

Model	mTIP3P	TIP3P-FB	TIP4P-FB	Expt.
Elec.	8.19 ± 0.06	9.54 ± 0.04	9.45 ± 0.08	–
Disp.	−0.68 ± 0.06	−0.89 ± 0.09	−0.82 ± 0.14	–
Rep.	0.00 ± 0.38	−0.07 ± 0.50	− 0.17 ± 0.41	–
Total	7.51 ± 0.50	8.58 ± 0.63	8.46 ± 0.63	5.98

Note:

All values are in units of kcal/mol. The experimental value is taken from Abraham et al. (1990).