To cover a range of methods across the five rungs of DFT, geometry optimization and frequency calculations were carried out using LSDA from Rung 1, PBE from Rung 2, TPSS from Rung 3, B3LYP from Rung 4, and B2PLYP from Rung 5. Additionally, the dispersion-corrected B2PLYP-D3 method was employed to obtain more accurate results. The SeaWulf high-performance computing cluster at Stony Brook University provided the computational resources, enabling efficient execution of these calculations. Gaussian 16 output files were parsed to extract thermodynamic properties using Python programming language, which were further analyzed to evaluate the accuracy of different computational methods and compare results to experimental data. All the 5 rungs from Jacob's ladder were benchmarked along with the additional dispersion-corrected method for better accuracy. Two different types of basis sets were applied for the study. One is the most common split-valence 6-31G(d) basis set without any polarization function for hydrogen , . And the other one is Dunning's correlation consistent basis set, cc-pVDZ with double-zeta which include polarization functions by definition, with the symbol 'p' in it. In these basis sets, redundant functions are removed and have been rotated order to increase computational efficiency . Z stands for "zeta," which refers to the level of flexibility in the basis set, indicating how many functions are used to represent each atomic orbital; essentially, a higher "Z" value means a more accurate but computationally expensive basis set. For the 1st and 2nd row atoms, the cc-pVDZ (correlation consistent-polarized valence double zeta) basis set adds 1s, 1p, and 1d function . All the computational methods used for this study are summarized in Table . All the output files were then analyzed to calculate the enthalpy of reaction and change in Gibbs free energy using Hess's law which is really just a restatement that energy is conserved . Equation 1 and 2 shows the calculation for enthalpy and Gibbs free energy for a reaction where υ is the stoichiometric number of moles that each species contributes to the reaction. The change in entropy was then calculated from the thermodynamic equation 3. All the computationally calculated thermodynamic properties for alkane combustion were compared for the benchmarking of the DFT methods. Additionally, the computational enthalpy values were compared with the experimental data for the validation of computational approach to solve the real-life problems. Based on the theoretical and experimental enthalpy data, scaling factors were also calculated.