Atmospheric chemistry of 2-ethyl hexanal: Photochemistry and oxidation in the presence of NO2

The photolysis and oxidation mechanism of 2-ethyl hexanal (C4H9CH(C2H5)C(O)H—2-Ethal) have been investigated. The UV absorption cross sections were recorded over the range 200–350 nm at 298 K. The quantum yield for photolysis at 254 nm was determined to be 0.51 ± 0.09. Photolysis of 2-Ethal occurs by two primary paths: a concerted elimination path and a radical formation path, the latter being the main path. CO, heptane, 3-heptanol, and 3-heptanone were identified as the main products.The rate constant for the reaction with Cl atoms was determined using the relative rate technique with isopentane and cyclohexane as reference gases. The average rate constant obtained was k = (2.8 ± 0.9) × 10−10 cm3 molecule−1 s−1. The most important path in the oxidation mechanism was the acyl radical forming channel, which was corroborated by the analysis of the products formed via photolysis in the presence of NO2. Those products were CO2, CO, peroxyacetyl nitrate, peroxypropionyl nitrate, and ethyl nitrate.

► Mechanism of photodegradation of 2-ethyl hexanal in the presence of nitrogen dioxide.
► The main product of the first degradation path of 2-ethyl hexanol is studied.
► Short chain peroxynitrates are the main products.