Interactions were modeled using a "class I" potential energy function where all nonbonded intermolecular interactions (U nb ) were accounted for using a combined Lennard-Jones (LJ) plus fixed point charge model of the form U nb (r i j ) = 4ε i j σ i j r i j 12 -σ i j r i j 6 + 1 4πε 0 q i q j r i j where r i j is the separation distance between sites i and j, ε i j is the well-depth of the LJ potential, σ i j is the distance at which the LJ potential is zero, and q i and q j are the partial charges of sites i and j, respectively. Water was modeled with TIP4P and 1-octanol was modeled with the United Atom Transferable Potentials for Phase Equilibria (TraPPE-UA) force field . The choice of solvent models was based on the work of Chen and Siepmann who demonstrated the sensitivity of the mutual solubility of water and 1-octanol on the solvent models, and the good performance of TIP4P with TraPPE-UA. An additional set of calculations was performed with the TIP4P/2005 water model for comparison after the conclusion of the SAMPL7 challenge.