Since its inception in 2014, Cyrene has emerged as a promising biobased solvent derived from renewable cellulose waste, offering a sustainable alternative to conventional toxic solvents. However, experimental data on its thermodynamic and transport properties remain scarce. This study addresses this critical gap by employing state-of-the-art molecular dynamics simulations. The results provide novel data on Cyrene's phase behavior and fluid dynamics over a wide temperature range (300-700 K) and pressure conditions, including the prediction of critical properties (801 K, 81.04 bar, and 415.389 kg/m