“Kinetic Studies on the Photo-oxidation Reactions of Methyl 2-methyl butanoate and Methyl-3-methyl butanoate with OH radicals”
R. Kaipara & B. Rajakumar. J. Phys. Chem. A. 2020, 124(52), 10923-10936.

Kinetics for the reactions of Methyl-2-methyl butanoate (M2MB) and Methyl-3-methyl butanoate (M3MB) with OH radicals were carried out using Relative Rate technique with Gas Chromatography-Flame Ionization Detector (RR-GC-FID) in the temperature range of 268 K – 363 K and at 760 Torr of N2. The temperature-dependent rate coefficients (k in cm3 molecule-1 s-1) for the reaction of M2MB with OH radical from 268-363 K were measured to be k_(268 K)^(M2MB+OH) = (4.62 ± 1.50) × 10-12, k_(283 K)^(M2MB+OH) = (4.46 ± 1.41) × 10-12, k_(298 K)^(M2MB+OH) = (4.27 ± 1.20) × 10-12, k_(313 K)^(M2MB+OH) = (3.99 ± 1.06) × 10-12, k_(343 K)^(M2MB+OH) = (3.65 ± 0.94) × 10-12 and k_(363 K)^(M2MB+OH) = (3.53 ± 0.80) × 10-12, respectively. Similarly, the temperature dependent kinetics for the reaction of M3MB with OH radicals were measured to be k_(268 K)^(M3MB+OH) = (4.49 ± 1.46) × 10-12, k_(283 K)^(M3MB+OH) = (4.40 ± 1.36) × 10-12 , k_(298 K)^(M3MB+OH) = (4.14 ± 1.18) × 10-12 , k_(313 K)^(M3MB+OH) = (3.90 ± 1.06) × 10-12 , k_(343 K)^(M3MB+OH) = (3.52 ± 0.85) × 10-12 and k_(363 K)^(M3MB+OH) = (3.42 ± 0.81) × 10-12 respectively. Furthermore, computational calculations were carried out for the title reactions using CVT/SCT/ISPE method. In addition to this, the product analyses for the studied reactions were elucidated using Gas Chromatography-Mass Spectrometry (GC-MS) and Gas Chromatography-Infrared spectroscopy (GC-IR) as analytical tools. Based on the identified products, the possible degradation mechanisms were proposed. Atmospheric lifetimes, Radiative Forcing (RF), Global Warming Potentials (GWPs) and Photochemical Ozone Creation Potentials (POCPs) were also estimated.