Table 2.

Hydrophobe insertions thermodynamics for hydrophobe molecules of different diameters in pure water as calculated by MC simulation at T*=0.20.

σ_H/r_HB	ΔG^hyd/ε_HB	ΔH^hyd/ε_HB	ΔS^hyd/k_B
0.47 (He)	0.1564	−0.0730	−1.1471
0.56 (Ne)	0.1897	−0.0894	−1.3955
0.70 (Ar)	0.2456	−0.1090	−1.7731
0.77 (CH₄)	0.2770	−0.0709	−1.7395
0.81 (Xe)	0.2976	−0.0941	−1.9585
1.50 (large solute)	0.7624	0.9886	1.1312