Rate constants of the gas-phase reactions of OH radicals with trans-2-hexenal, trans-2-octenal, and trans-2-nonenal

G. A O Tingting, Jean Andino, Carlos C. Rivera, Misaela Francisco Marquez

Research output: Contribution to journalArticle

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Abstract

The rate constants of the gas-phase reaction of OH radicals with trans-2-hexenal, trans-2-octenal, and trans-2-nonenal were determined at 298 ± 2 K and atmospheric pressure using the relative rate technique. Two reference compounds were selected for each rate constant determination. The relative rates of OH + trans-2-hexenal versus OH + 2-methyl-2-butene and p-pinene were 0.452 ± 0.054 and 0.530 ± 0.036, respectively. These results yielded an average rate constant for OH + trans-2-hexenal of (39.3 ± 1.7) x 10 -1.2 cm 3 molecule -1 s -1. The relative rates of OH + trans-2-octenal versus the OH reaction with butanal and β-pinene were 1.65 ± 0.08 and 0.527 ± 0.032, yielding an average rate constant for OH + trans-2-octenal of (40.5 ± 2.5) x 10 1.2 cm 3 molecule -1 s -1. The relative rates of OH + trans-2-nonenal versus OH + butanal and OH + trans-2-hexenal were 1.77 ± 0.08 and 1.09 ± 0.06, resulting in an average rate constant for OH + trans-2-nonenal of (43.5 ± 3.0) x 10 -1.2 cm 3 molecule -1 s -1. In all cases, the errors represent 2 (95% confidential level) and the calculated rate constants do not include the error associated with the rate constant of the OH reaction with the reference compounds. The rate constants for the hydroxyl radical reactions of a series of trans-2-aldehydes were compared with the values estimated using the structure activity relationship.

Original languageEnglish (US)
Pages (from-to)483-489
Number of pages7
JournalInternational Journal of Chemical Kinetics
Volume41
Issue number7
DOIs
StatePublished - Jul 2009

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Rate constants
Gases
vapor phases
Atmospheric Pressure
Structure-Activity Relationship
Aldehydes
Hydroxyl Radical
Molecules
2-hexenal
2-octenal
2-nonenal
Atmospheric pressure
molecules
hydroxyl radicals
butenes
aldehydes
butyraldehyde
atmospheric pressure

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Biochemistry

Cite this

Rate constants of the gas-phase reactions of OH radicals with trans-2-hexenal, trans-2-octenal, and trans-2-nonenal. / Tingting, G. A O; Andino, Jean; Rivera, Carlos C.; Marquez, Misaela Francisco.

In: International Journal of Chemical Kinetics, Vol. 41, No. 7, 07.2009, p. 483-489.

Research output: Contribution to journalArticle

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abstract = "The rate constants of the gas-phase reaction of OH radicals with trans-2-hexenal, trans-2-octenal, and trans-2-nonenal were determined at 298 ± 2 K and atmospheric pressure using the relative rate technique. Two reference compounds were selected for each rate constant determination. The relative rates of OH + trans-2-hexenal versus OH + 2-methyl-2-butene and p-pinene were 0.452 ± 0.054 and 0.530 ± 0.036, respectively. These results yielded an average rate constant for OH + trans-2-hexenal of (39.3 ± 1.7) x 10 -1.2 cm 3 molecule -1 s -1. The relative rates of OH + trans-2-octenal versus the OH reaction with butanal and β-pinene were 1.65 ± 0.08 and 0.527 ± 0.032, yielding an average rate constant for OH + trans-2-octenal of (40.5 ± 2.5) x 10 1.2 cm 3 molecule -1 s -1. The relative rates of OH + trans-2-nonenal versus OH + butanal and OH + trans-2-hexenal were 1.77 ± 0.08 and 1.09 ± 0.06, resulting in an average rate constant for OH + trans-2-nonenal of (43.5 ± 3.0) x 10 -1.2 cm 3 molecule -1 s -1. In all cases, the errors represent 2 (95{\%} confidential level) and the calculated rate constants do not include the error associated with the rate constant of the OH reaction with the reference compounds. The rate constants for the hydroxyl radical reactions of a series of trans-2-aldehydes were compared with the values estimated using the structure activity relationship.",
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N2 - The rate constants of the gas-phase reaction of OH radicals with trans-2-hexenal, trans-2-octenal, and trans-2-nonenal were determined at 298 ± 2 K and atmospheric pressure using the relative rate technique. Two reference compounds were selected for each rate constant determination. The relative rates of OH + trans-2-hexenal versus OH + 2-methyl-2-butene and p-pinene were 0.452 ± 0.054 and 0.530 ± 0.036, respectively. These results yielded an average rate constant for OH + trans-2-hexenal of (39.3 ± 1.7) x 10 -1.2 cm 3 molecule -1 s -1. The relative rates of OH + trans-2-octenal versus the OH reaction with butanal and β-pinene were 1.65 ± 0.08 and 0.527 ± 0.032, yielding an average rate constant for OH + trans-2-octenal of (40.5 ± 2.5) x 10 1.2 cm 3 molecule -1 s -1. The relative rates of OH + trans-2-nonenal versus OH + butanal and OH + trans-2-hexenal were 1.77 ± 0.08 and 1.09 ± 0.06, resulting in an average rate constant for OH + trans-2-nonenal of (43.5 ± 3.0) x 10 -1.2 cm 3 molecule -1 s -1. In all cases, the errors represent 2 (95% confidential level) and the calculated rate constants do not include the error associated with the rate constant of the OH reaction with the reference compounds. The rate constants for the hydroxyl radical reactions of a series of trans-2-aldehydes were compared with the values estimated using the structure activity relationship.

AB - The rate constants of the gas-phase reaction of OH radicals with trans-2-hexenal, trans-2-octenal, and trans-2-nonenal were determined at 298 ± 2 K and atmospheric pressure using the relative rate technique. Two reference compounds were selected for each rate constant determination. The relative rates of OH + trans-2-hexenal versus OH + 2-methyl-2-butene and p-pinene were 0.452 ± 0.054 and 0.530 ± 0.036, respectively. These results yielded an average rate constant for OH + trans-2-hexenal of (39.3 ± 1.7) x 10 -1.2 cm 3 molecule -1 s -1. The relative rates of OH + trans-2-octenal versus the OH reaction with butanal and β-pinene were 1.65 ± 0.08 and 0.527 ± 0.032, yielding an average rate constant for OH + trans-2-octenal of (40.5 ± 2.5) x 10 1.2 cm 3 molecule -1 s -1. The relative rates of OH + trans-2-nonenal versus OH + butanal and OH + trans-2-hexenal were 1.77 ± 0.08 and 1.09 ± 0.06, resulting in an average rate constant for OH + trans-2-nonenal of (43.5 ± 3.0) x 10 -1.2 cm 3 molecule -1 s -1. In all cases, the errors represent 2 (95% confidential level) and the calculated rate constants do not include the error associated with the rate constant of the OH reaction with the reference compounds. The rate constants for the hydroxyl radical reactions of a series of trans-2-aldehydes were compared with the values estimated using the structure activity relationship.

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