Tables and summarize the thermokinetic data obtained for the reaction pathways described previously by Eq. (7-14), as calculated at p= 1 bar and different temperature conditions. In Subsection 2.1.1, it is first discussed the choice of theory level for the theoretical calculations. Thereafter, the analysis is detailed for Mech 1 (Subsection 3.1.2) and Mech 2 (Subsection 3.1.3), but summarized for the other routes in Subsection 3.1.4.