Kinetic and Mechanism of the Photo-Oxidation of 2-Methoxyethanol with Chlorine Atoms in the Troposphere

The rate coefficient for the reaction between 2-methoxyethanol (2ME, CH<sub>3</sub>OCH<sub>2</sub>CH<sub>2</sub>OH) and chlorine atoms in the gas phase has been determined for the first time by the relative method at 298 K and atmospheric pressure using infrared spectroscopy. This yielded a value of (1.4 ± 0.2) × 10<sup>-10</sup> cm<sup>3</sup> molecule<sup>-1</sup> s<sup>-1</sup>. A comparison of this value with that derived from the structure-activity relationship (SAR) shows good concordance, and a reactivity correlation analysis using the rate coefficients reported in the bibliography for similar compounds was also included. The degradation products initiated by the attack of chlorine atoms to the 2-methoxyethanol molecule were identified as 2-methoxyacetaldehyde, formic acid, methyl formate (41%), methyl 2-hydroxyacetate (2.5%), and 2-hydroxyethyl formate (20%). From these products and the kinetic analysis, the reaction mechanism was proposed. Finally, the environmental implications of 2-methoxyethanol emissions were analyzed, taking into account its reactivity with hydroxyl (HO<sup>•</sup>) radicals and chlorine atoms as well as its POCP values. The results showed that the lifetime of 2ME is controlled by its reactivity with HO<sup>•</sup> radicals.

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Publication Details

Journal
The Journal of Physical Chemistry A
Published
2025-10-09
DOI
https://doi.org/10.1021/acs.jpca.5c04720
Primary Topic
Atmospheric chemistry and aerosols
Type
article
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article

Kinetic and Mechanism of the Photo-Oxidation of 2-Methoxyethanol with Chlorine Atoms in the Troposphere

Lourdes Luz Varela Prieto, Javier A. Barrera, Fabio E. Malanca, Jesús A. Vila
The Journal of Physical Chemistry A
Atmospheric chemistry and aerosols
article

Kinetic and Mechanism of the Photo-Oxidation of 2-Methoxyethanol with Chlorine Atoms in the Troposphere

Lourdes Luz Varela Prieto, Javier A. Barrera, Fabio E. Malanca, Jesús A. Vila
article en

Abstract

The rate coefficient for the reaction between 2-methoxyethanol (2ME, CH<sub>3</sub>OCH<sub>2</sub>CH<sub>2</sub>OH) and chlorine atoms in the gas phase has been determined for the first time by the relative method at 298 K and atmospheric pressure using infrared spectroscopy. This yielded a value of (1.4 ± 0.2) × 10<sup>-10</sup> cm<sup>3</sup> molecule<sup>-1</sup> s<sup>-1</sup>. A comparison of this value with that derived from the structure-activity relationship (SAR) shows good concordance, and a reactivity correlation analysis using the rate coefficients reported in the bibliography for similar compounds was also included. The degradation products initiated by the attack of chlorine atoms to the 2-methoxyethanol molecule were identified as 2-methoxyacetaldehyde, formic acid, methyl formate (41%), methyl 2-hydroxyacetate (2.5%), and 2-hydroxyethyl formate (20%). From these products and the kinetic analysis, the reaction mechanism was proposed. Finally, the environmental implications of 2-methoxyethanol emissions were analyzed, taking into account its reactivity with hydroxyl (HO<sup>•</sup>) radicals and chlorine atoms as well as its POCP values. The results showed that the lifetime of 2ME is controlled by its reactivity with HO<sup>•</sup> radicals.

The Journal of Physical Chemistry AVol. 129(42)
Universidad Nacional de Córdoba (AR), Instituto de Investigaciones en Ciencias de la Salud (AR)
Openalex Percentile: Top 67%
Atmospheric chemistry and aerosols
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