High-temperature unimolecular decomposition of ethyl propionate

Binod Giri, Mohammed A. AlAbbad, Aamir Farooq

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

This 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.
Original languageEnglish (US)
Pages (from-to)184-190
Number of pages7
JournalChemical Physics Letters
Volume664
DOIs
StatePublished - Oct 9 2016

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