We have performed MD simulations of binary mixtures of [Li][NTf 2 ] and G3 (see Scheme 1 for chemical structures) at 263 K, 283 K, 303 K, 323 K, 343 K, 383 K, 423 K and 483 K. For the description of the lithium ions, we used the forcefield for monovalent alkali cations by Joung and Cheatham. Besides, the NGOLP forcefield was applied for the [NTf 2 ] - anions. The NGOLP model has been shown to provide realistic solvation free energies for a variety of gaseous apolar compounds, 62-64 accurately described mixtures with molecular hydrogen bond acceptors, and has recently outperformed other forcefield models. As a force field for G3, we have relied on the modified TraPPE-UA force field of Fischer et al., which has recently been compared favorably to various other forcefields. All MD simulations were performed using GROMACS 2019.6. The simulations were carried out under N pT conditions at a pressure of 1 bar and using mixing ratios of x([Li][NTf 2 ]) = 0.037 to 0.5 (see Table ). Hereby, the sum of all [Li][NTf 2 ] ion pairs (IPs) and G3 molecules was kept constant at 1080 particles. Each system was first equilibrated for 20 ns at the highest temperature. The final configuration from equilibration served as the initial configuration for production runs at the same temperature. This process was repeated for lower temperatures, with production runs lasting 20 ns to 100 ns depending on temperature (see SI). All simulations used a 2 fs integration time step. The temperature of the simulated systems was controlled by employing the Nosé-Hoover thermostat with a coupling time τ T = 1.0 ps. Here, we have followed the recommendations given by Basconi and Shirts, 77 who found that the application of the Nosé-Hoover thermostat yields reliable dynamical properties that are statistically indistinguishable from those of the microcanonical (NVE) ensemble, given that it is applied globally. Additionally, the Parrinello-Rahman barostat was applied with a coupling time τ p = 2.0 ps. The electrostatic and Lennard-Jones interactions were treated by the smooth particle mesh Ewald summation. The Ewald convergence parameter was set to a relative accuracy of the Ewald sum of 1 × 10 -5 for the Coulomb interactions and 1 × 10 -3 for the Lennard-Jones interaction. All bond lengths were kept fixed during the simulation run, and the distance constraints were solved utilizing Table : Simulated mixtures of [Li][NTf 2 ] and G3 with their respective salt mole fractions