Atmospheric chemistry of 2-ethoxy-3,3,4,4,5-pentafluorotetrahydro-2,5- bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-furan: Kinetics, mechanisms, and products of CI atom and OH radical initiated oxidation

M. S. Javadi; O. J. Nielsen; T. J. Wallington; M. D. Hurley; J. G. Owens

doi:10.1021/es071175c

Atmospheric chemistry of 2-ethoxy-3,3,4,4,5-pentafluorotetrahydro-2,5- bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-furan: Kinetics, mechanisms, and products of CI atom and OH radical initiated oxidation

M. S. Javadi, O. J. Nielsen, T. J. Wallington^*, M. D. Hurley, J. G. Owens

^*Corresponding author af dette arbejde

Kemisk Institut

4 Citationer (Scopus)

Abstract

Smog chamber/FTIR techniques were used to study the atmospheric chemistry of the title compound which we refer to as R_fOC₂H ₅. Rate constants of k(CI + R_fOC₂H₅) = (2.70 ± 0.36) ± 10-¹², k(OH + R_fOC ₂H₅) = (5.93 ± 0.85) ± 10^-14, and k(CI + R_fOCHO) = (1.34 ± 0.20) × 10^-14 cm³ molecule^-1 s^-1 were measured in 700 Torr of N₂, or air, diluent at 294 ± 1 K. From the value of k(OH + R_fOC₂H₅) the atmospheric lifetime of R _fOC₂H₅ was estimated to be 1 year. Two competing loss mechanisms for R_fOCH(O^•)CH₃ radicals were identified in 700 Torr of N₂/O₂ diluent at 294 ± 1 K; decomposition via C-C bond scission giving a formate (R _fOCHO), or reaction with O₂ giving an acetate (R _fOC(O)-CH₃). In 700 Torr of N₂/O₂ diluent at 294 ± 1 K the rate constant ratio k₀₂/k _diss = (1.26 ± 0.74) × 10^-19 cm³ molecule^-1. The OH radical initiated atmospheric oxidation of R _f-OC₂H₅ gives R_fOCHO and R _fOC(O)CH₃ as major products. R_f-OC ₂H₅ has a global warming potential of approximately 55 for a 100 year horizon. The results are discussed with respect to the atmospheric chemistry and environmental impact of R_fOC₂H₅.

Originalsprog	Engelsk
Tidsskrift	Environmental Science and Technology
Vol/bind	41
Udgave nummer	21
Sider (fra-til)	7389-7395
Antal sider	7
ISSN	0013-936X
DOI	https://doi.org/10.1021/es071175c
Status	Udgivet - 1 nov. 2007

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10.1021/es071175c

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Citationsformater

Javadi, M. S., Nielsen, O. J., Wallington, T. J., Hurley, M. D., & Owens, J. G. (2007). Atmospheric chemistry of 2-ethoxy-3,3,4,4,5-pentafluorotetrahydro-2,5- bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-furan: Kinetics, mechanisms, and products of CI atom and OH radical initiated oxidation. Environmental Science and Technology, 41(21), 7389-7395. https://doi.org/10.1021/es071175c

Atmospheric chemistry of 2-ethoxy-3,3,4,4,5-pentafluorotetrahydro-2,5- bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-furan : Kinetics, mechanisms, and products of CI atom and OH radical initiated oxidation. / Javadi, M. S.; Nielsen, O. J.; Wallington, T. J. et al.

I: Environmental Science and Technology, Bind 41, Nr. 21, 01.11.2007, s. 7389-7395.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

Javadi, MS, Nielsen, OJ, Wallington, TJ, Hurley, MD & Owens, JG 2007, 'Atmospheric chemistry of 2-ethoxy-3,3,4,4,5-pentafluorotetrahydro-2,5- bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-furan: Kinetics, mechanisms, and products of CI atom and OH radical initiated oxidation', Environmental Science and Technology, bind 41, nr. 21, s. 7389-7395. https://doi.org/10.1021/es071175c

@article{6df78e1cf7564dd3a364ed71a2479807,

title = "Atmospheric chemistry of 2-ethoxy-3,3,4,4,5-pentafluorotetrahydro-2,5- bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-furan: Kinetics, mechanisms, and products of CI atom and OH radical initiated oxidation",

abstract = "Smog chamber/FTIR techniques were used to study the atmospheric chemistry of the title compound which we refer to as RfOC2H 5. Rate constants of k(CI + RfOC2H5) = (2.70 ± 0.36) ± 10-12, k(OH + RfOC 2H5) = (5.93 ± 0.85) ± 10-14, and k(CI + RfOCHO) = (1.34 ± 0.20) × 10-14 cm3 molecule-1 s-1 were measured in 700 Torr of N2, or air, diluent at 294 ± 1 K. From the value of k(OH + RfOC2H5) the atmospheric lifetime of R fOC2H5 was estimated to be 1 year. Two competing loss mechanisms for RfOCH(O•)CH3 radicals were identified in 700 Torr of N2/O2 diluent at 294 ± 1 K; decomposition via C-C bond scission giving a formate (R fOCHO), or reaction with O2 giving an acetate (R fOC(O)-CH3). In 700 Torr of N2/O2 diluent at 294 ± 1 K the rate constant ratio k02/k diss = (1.26 ± 0.74) × 10-19 cm3 molecule-1. The OH radical initiated atmospheric oxidation of R f-OC2H5 gives RfOCHO and R fOC(O)CH3 as major products. Rf-OC 2H5 has a global warming potential of approximately 55 for a 100 year horizon. The results are discussed with respect to the atmospheric chemistry and environmental impact of RfOC2H5.",

author = "Javadi, {M. S.} and Nielsen, {O. J.} and Wallington, {T. J.} and Hurley, {M. D.} and Owens, {J. G.}",

year = "2007",

month = nov,

day = "1",

doi = "10.1021/es071175c",

language = "English",

volume = "41",

pages = "7389--7395",

journal = "Environmental Science & Technology",

issn = "0013-936X",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Atmospheric chemistry of 2-ethoxy-3,3,4,4,5-pentafluorotetrahydro-2,5- bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-furan

T2 - Kinetics, mechanisms, and products of CI atom and OH radical initiated oxidation

AU - Javadi, M. S.

AU - Nielsen, O. J.

AU - Wallington, T. J.

AU - Hurley, M. D.

AU - Owens, J. G.

PY - 2007/11/1

Y1 - 2007/11/1

N2 - Smog chamber/FTIR techniques were used to study the atmospheric chemistry of the title compound which we refer to as RfOC2H 5. Rate constants of k(CI + RfOC2H5) = (2.70 ± 0.36) ± 10-12, k(OH + RfOC 2H5) = (5.93 ± 0.85) ± 10-14, and k(CI + RfOCHO) = (1.34 ± 0.20) × 10-14 cm3 molecule-1 s-1 were measured in 700 Torr of N2, or air, diluent at 294 ± 1 K. From the value of k(OH + RfOC2H5) the atmospheric lifetime of R fOC2H5 was estimated to be 1 year. Two competing loss mechanisms for RfOCH(O•)CH3 radicals were identified in 700 Torr of N2/O2 diluent at 294 ± 1 K; decomposition via C-C bond scission giving a formate (R fOCHO), or reaction with O2 giving an acetate (R fOC(O)-CH3). In 700 Torr of N2/O2 diluent at 294 ± 1 K the rate constant ratio k02/k diss = (1.26 ± 0.74) × 10-19 cm3 molecule-1. The OH radical initiated atmospheric oxidation of R f-OC2H5 gives RfOCHO and R fOC(O)CH3 as major products. Rf-OC 2H5 has a global warming potential of approximately 55 for a 100 year horizon. The results are discussed with respect to the atmospheric chemistry and environmental impact of RfOC2H5.

AB - Smog chamber/FTIR techniques were used to study the atmospheric chemistry of the title compound which we refer to as RfOC2H 5. Rate constants of k(CI + RfOC2H5) = (2.70 ± 0.36) ± 10-12, k(OH + RfOC 2H5) = (5.93 ± 0.85) ± 10-14, and k(CI + RfOCHO) = (1.34 ± 0.20) × 10-14 cm3 molecule-1 s-1 were measured in 700 Torr of N2, or air, diluent at 294 ± 1 K. From the value of k(OH + RfOC2H5) the atmospheric lifetime of R fOC2H5 was estimated to be 1 year. Two competing loss mechanisms for RfOCH(O•)CH3 radicals were identified in 700 Torr of N2/O2 diluent at 294 ± 1 K; decomposition via C-C bond scission giving a formate (R fOCHO), or reaction with O2 giving an acetate (R fOC(O)-CH3). In 700 Torr of N2/O2 diluent at 294 ± 1 K the rate constant ratio k02/k diss = (1.26 ± 0.74) × 10-19 cm3 molecule-1. The OH radical initiated atmospheric oxidation of R f-OC2H5 gives RfOCHO and R fOC(O)CH3 as major products. Rf-OC 2H5 has a global warming potential of approximately 55 for a 100 year horizon. The results are discussed with respect to the atmospheric chemistry and environmental impact of RfOC2H5.

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U2 - 10.1021/es071175c

DO - 10.1021/es071175c

M3 - Journal article

C2 - 18044516

AN - SCOPUS:35948955858

SN - 0013-936X

VL - 41

SP - 7389

EP - 7395

JO - Environmental Science & Technology

JF - Environmental Science & Technology

IS - 21

ER -