A single neopentane sized molecular cavity is grown in w,w-ua, w-ta and w-ua-ta mixtures. At initial state, the C6 and C12 terms for the van der Walls equation are set as zero for the solute and the final state only C12 is there. The free energy change to grow the cavity is estimated using thermodynamic Integration method, is called ΔGcavity. The simulation details are discussed in the methods and computational details section. A higher positive value of the ΔGcavity is indicating a more unfavorable is the cavity creation. The cavitation free energies of neopentane in mixed solvents are provided in Table .