The three atomistic force fields overestimated the thermal conductivity by a similar amount (∼ 60%), while the united-atom force field under predicted the thermal conductivity by 20%. From viscosity calculations, we saw significant under predictions at high and low temperatures with CHARMM-36 and TraPPE-UA, and over predictions using AMBER. On the other hand, LOPLS-AA was found to be in good agreement with experimental data and was therefore chosen as the force field that best captures the behaviour of PAO4.