A detailed chemical kinetic mechanism has been developed and used to study the oxidation of iso-octane under various conditions, including jet-stirred reactors, flow reactors, shock tubes, and motored engines. The mechanism was validated using experimental data on ignition delay times and species concentrations across a wide range of pressures (1–45 atm), temperatures (550–1700 K), and equivalence ratios (0.3–1.5). The mechanism was based on previous studies of alkane combustion and n-heptane oxidation, and was refined using experimental data from shock tubes, flow reactors, and jet-stirred reactors. A sensitivity analysis was performed to identify the most important reactions under different conditions. The mechanism includes 3,600 elementary reactions among 860 chemical species and covers both low and high-temperature kinetics. The low-temperature mechanism focuses on the addition of alkyl radicals to molecular oxygen, followed by hydrogen abstraction and chain branching. The high-temperature mechanism includes unimolecular decomposition, H atom abstraction, and radical isomerization. The mechanism was validated against experimental data from flow reactors, shock tubes, and jet-stirred reactors, showing good agreement between model predictions and experimental results. The study highlights the importance of different reaction pathways in iso-octane oxidation and provides a detailed understanding of the chemical processes involved in its combustion.A detailed chemical kinetic mechanism has been developed and used to study the oxidation of iso-octane under various conditions, including jet-stirred reactors, flow reactors, shock tubes, and motored engines. The mechanism was validated using experimental data on ignition delay times and species concentrations across a wide range of pressures (1–45 atm), temperatures (550–1700 K), and equivalence ratios (0.3–1.5). The mechanism was based on previous studies of alkane combustion and n-heptane oxidation, and was refined using experimental data from shock tubes, flow reactors, and jet-stirred reactors. A sensitivity analysis was performed to identify the most important reactions under different conditions. The mechanism includes 3,600 elementary reactions among 860 chemical species and covers both low and high-temperature kinetics. The low-temperature mechanism focuses on the addition of alkyl radicals to molecular oxygen, followed by hydrogen abstraction and chain branching. The high-temperature mechanism includes unimolecular decomposition, H atom abstraction, and radical isomerization. The mechanism was validated against experimental data from flow reactors, shock tubes, and jet-stirred reactors, showing good agreement between model predictions and experimental results. The study highlights the importance of different reaction pathways in iso-octane oxidation and provides a detailed understanding of the chemical processes involved in its combustion.