Table 1.
Solute | −TΔSo/n | ΔHo/n | ΔGo/n |
Data set I | |||
Methane | 0.227 | −0.128 | 0.098 |
Ethane | 0.259 | −0.179 | 0.079 |
Propane | 0.256 | −0.184 | 0.072 |
Isobutane | 0.249 | −0.173 | 0.077 |
Neopentane | 0.249 | −0.170 | 0.078 |
Data set II | |||
Ethane | 0.261 | −0.182 | 0.080 |
Propane | 0.249 | −0.177 | 0.072 |
Butane | 0.259 | −0.189 | 0.070 |
Hydration free energy (ΔGo), enthalpy (ΔHo), and entropy (ΔSo) for the hydration of gaseous alkanes; T is degrees K. The standard state is the one proposed by Ben-Naim (16) for solute transfer between fixed positions in the gas and liquid phases. n is the number of water molecules correlated with the alkane by vdw attraction, taken from ref. 13. ASA is the solvent-accessible surface area in Å2, using the vdw radii given in ref. 19.