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AbstractThis work reports rate coefficients of the thermal unimolecular decomposition reaction of ethyl propionate (EP) behind reflected shock waves over the temperature range of 976–1300 K and pressures of 825–1875 Torr. The reaction progress was monitored by detecting CH near 10.532 μm using CO gas laser absorption. In addition, G3//MP2/aug-cc-pVDZ and master equation calculations were performed to assess the pressure- and temperature-dependence of the reaction. Our calculations revealed that CH elimination occurs via a six-centered retro-ene transition state. Our measured rate data are close to the high-pressure limit and showed no discernable temperature fall off.
CitationGiri BR, AlAbbad M, Farooq A (2016) High-temperature unimolecular decomposition of ethyl propionate. Chemical Physics Letters 664: 184–190. Available: http://dx.doi.org/10.1016/j.cplett.2016.10.012.
SponsorsKing Abdullah University of Science and Technology
JournalChemical Physics Letters