Skip to main content
. Author manuscript; available in PMC: 2008 Aug 22.
Published in final edited form as: J Phys Chem B. 2007 Feb 27;111(11):2873–2885. doi: 10.1021/jp0663614

Table 5.

Comparison of experimental and calculated free energies of solvation in aqueous solution for benzene and toluene

Benzene Toluene
Drude C22 Expt. Drude C22 Expt.
ΔGrep 14.61±0.11 12.73 ΔGrep 17.00±0.21 14.69
Δ Gdisp 14.24±0.09 −12.05 ΔGdisp 16.32±0.07 −13.82
ΔGnp 0.37±0.20 0.68 ΔGnp 0.68±0.21 0.87
ΔGel −1.43±0.06 −1.80 ΔGel −2.00±0.02 −1.69
ΔGsol −1.06±0.22 −1.12 −0.86 ΔGsol −1.32±0.21 −0.83 −0.89