A methanol production kinetic model from syngas was prepared using an Aspen plus simulation software. The two most widely used kinetics from Vanden Bussche and Graaf’s was adopted for creation and validation of the methanol synthesis model. The model developed was then subjected to multivariable analysis. Methanol yield (%), carbon conversion (%), and methanol production (mol h−1) were the response studied from the model with change in the analysed factors. Stoichiometric number (S), reaction temperature, operating pressure, and the cooling condition involved during methanol production being the analysed input factors to the system. Prediction and the optimization of the analyzed responses was done with the help of the prepared surrogate model. The optimized values obtained for the methanol yield (%), carbon conversion (%) and methanol production (mol h−1) were, 46.95 %, 46.97 % and 1.21 mol h−1 respectively, when methanol reactor was cooled in an isothermal plug flow reactor at a stoichiometric number of 4.44 and by operating the reactor at 220 °C and 50 bars.