This study is focused on the modelling of the production of bio-oil by thermochemical liquefaction. Species Acacia melanoxylon was used as the source of biomass, the standard chemical 2-Ethylhexanol (2-EHEX) was used as solvent, p-Toluenesulfonic acid (pTSA) was used as the catalyst, and acetone was used for the washing process. This procedure consisted of a moderate acid-catalysed liquefaction process and was applied at 3 different temperatures to determine the proper model: 100, 135, and 170 °C, and at 30-, 115-, and 200-min periods with 0.5%, 5.25%, and 10% (m/m) catalyst concentrations of overall mass. Optimized results showed a bio-oil yield of 83.29% and an HHV of 34.31 MJ/kg. A central composite face-centred (CCF) design was applied to the liquefaction reaction optimization. Reaction time, reaction temperature, as well as catalyst concentration, were chosen as independent variables. The resulting model exhibited very good results, with a highly adjusted R-squared (1.000). The liquefied products and biochar samples were characterized by Fourier-transformed infrared (FTIR) and thermogravimetric analysis (TGA); scanning electron microscopy (SEM) was also performed. The results show that invasive species such as acacia may have very good potential to generate biofuels and utilize lignocellulosic biomass in different ways. Additionally, using acacia as feedstock for bio-oil liquefaction will allow the valorisation of woody biomass and prevent forest fires as well. Besides, this process may provide a chance to control the invasive species in the forests, reduce the effect of forest fires, and produce bio-oil as a renewable energy.