The leap-frog stochastic dynamics integrator with an inverse friction constant of 0.1 ps is used to maintain the system temperature at 298K. For each λ point, initially 1 ns to 4 ns equilibration runs and 4 ns to 10 ns production runs are performed. We have fixed the pressure of systems 1 bar using the Berendsen barostat for the equilibration and Parrinello-Rahman barostat for the production run. More details regarding the methodology are given in the work of Hajari and van der Vegt. Table . The details of the systems for cavitation free energies of neopentane in water, water-urea, water-TMAO and water-urea-TMAO mixtures.