Kinetics of the gas-phase thermal decomposition of 3-chloropropene

Highlights: • Investigating the reactions where more than one product is formed simultaneously. • Pyrolysis of 3-chloropropene shows evidence for numerous reaction channels. • The mechanism adopted is explained in the light of available literature. The pyrolysis of 3-Chloropropene was studied in a static system in the temperature range 683–750 K and pressure 45–92 Torr. For the overall reaction the Arrhenius parameters were observed as, Ea = 183.2 ± 5.6 kJ mol⁻¹, and log₁₀ (A, s⁻¹) = 9.49 ± 0.41. Two mechanisms, dehydrochlorination molecular elimination and CCl bond fission are discussed in detail. To interpret the fall-off behaviour, RRKM/ME calculations were adopted and the pressure dependent rate constants were calculated at collision efficiency of 0.5. From the pressure dependence study and RRKM calculations, it can be concluded that we are at the high-pressure limit.