Kinetics of the reaction of OH radical with Ethylfluoroacetate (EFA), Ethyl 4,4,4-trifluorobutyrate (ETB), and Butylfluoroacetate (BFA)

LUGO, PEDRO L.; STRACCIA, VIANNI; TERUEL, MARIANO A.; BLANCO, MARÍA B.

JOURNAL OF ENVIRONMENTAL SCIENCES-CHINA

SCIENCE PRESS

Año: 2024

1001-0742

inetics of the gas-phase reactions of OH radicals with a series of fluoroesters were studied for the first time at (298 ± 3) K and atmospheric pressure. Relative rate coefficients were determined by in situ FTIR spectroscopy in nitrogen and GC-FID in air to monitor the decay of reactants and references. The following coefficient values (in 10-12 cm3molecule-1s-1) were obtained for ethyl fluoroacetate (EFA), ethyl 4,4,4-trifluorobutyrate (ETB), and butyl fluoroacetate (BFA), respectively: k1(EFA+OH) = (1.16 ± 0.61) by FTIR and (1.34 ± 0.62) by GC-FID; k2(ETB+OH) = (1.61 ± 0.90) by FTIR and (2.02 ± 0.77) by GC-FID; k3(BFA+OH) = (2.24 ± 0.96) by FTIR. Reactivity trends were developed and correlated with the number of CH3 and F substituents in the fluoroester, and structure-activity relationships (SARs) calculations were performed. In addition, the tropospheric lifetimes of EFA, ETB, and BFA upon degradation by OH radicals were calculated to be 9, 6, and 5 days, respectively, indicating t