Journal cover Journal topic
Earth System Science Data The data publishing journal
Journal topic

Journal metrics

Journal metrics

  • IF value: 10.951 IF 10.951
  • IF 5-year value: 9.899 IF 5-year
  • CiteScore value: 9.74 CiteScore
  • SNIP value: 3.111 SNIP 3.111
  • IPP value: 8.99 IPP 8.99
  • SJR value: 5.229 SJR 5.229
  • Scimago H <br class='hide-on-tablet hide-on-mobile'>index value: 38 Scimago H
    index 38
  • h5-index value: 33 h5-index 33
Discussion papers
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.

Submitted as: data description paper 17 Jan 2020

Submitted as: data description paper | 17 Jan 2020

Review status
This preprint is currently under review for the journal ESSD.

Database for the kinetics of the gas-phase atmospheric reactions of organic compounds

Max R. McGillen1,2, William P.L. Carter3, Abdelwahid Mellouki1, John J. Orlando4, Bénédicte Picquet-Varrault5, and Timothy J. Wallington6 Max R. McGillen et al.
  • 1Institut de Combustion, Aérothermique, Réactivité et Environnement (ICARE), CNRS/OSUC, 45071 Orléans Cedex 2, France
  • 2Le Studium Loire Valley Institute for Advanced Studies, Orléans, France
  • 3College of Engineering, Center for Environmental Research and Technology (CE-CERT), University of California, Riverside, CA, 92521, USA
  • 4Atmospheric Chemistry Observations and Modeling Laboratory, National Center for Atmospheric Research, Boulder, Colorado 80307, USA
  • 5Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA), UMR 7583 CNRS, Universités Paris-Est Créteil et Paris Diderot, Institut Pierre-Simon Laplace, Créteil Cedex, France
  • 6Research & Advanced Engineering, Ford Motor Company, Dearborn, MI 48121-2053, USA

Abstract. We present a digital, freely available, searchable and evaluated compilation of rate coefficients for the gas-phase reactions of organic compounds with OH, Cl and NO3 radicals and with O3 (McGillen et al., 2019). Although other compilations of much of these data exist, many are out-of-date, most have limited scope, and all are difficult to search and to load completely into a digitized form. This compilation uses results of previous reviews, though many recommendations are updated to incorporate new or omitted data or address errors, and includes recommendations on many reactions that have not been reviewed previously. The database, which incorporates over 50 years of measurements, consists of a total of 2765 recommended bimolecular rate coefficients for the reactions of 1357 organic substances with OH, 709 with Cl, 310 with O3, and 389 with NO3, and is much larger than previous compilations. A large variety of functional groups is present in this database, including naturally occurring chemicals formed in or emitted to the atmosphere and anthropogenic compounds such as halocarbons and their degradation products. Recommendations were made for rate coefficients at 298 K and, where possible, the temperature dependences over the entire range of the available data. The primary motivation behind this project has been to provide a large and thoroughly evaluated training dataset for the development of structure-activity relationships (SARs), whose reliability depends fundamentally upon the availability of high-quality experimental data. However, there are other potential applications of this work, such as research related to atmospheric lifetimes and fates of organic compounds, or modelling gas-phase reactions of organics in various environments. This database is freely accessible at (McGillen et al., 2019).

Max R. McGillen et al.

Interactive discussion

Status: final response (author comments only)
Status: final response (author comments only)
AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment
[Login for Authors/Topical Editors] [Subscribe to comment alert] Printer-friendly Version - Printer-friendly version Supplement - Supplement

Max R. McGillen et al.

Data sets

Database for the Kinetics of the Gas-Phase Atmospheric Reactions of Organic Compounds M. R. McGillen, W. P. L. Carter, A. Mellouki, J. J. Orlando, B. Picquet-Varrault, and T. J. Wallington

Max R. McGillen et al.


Total article views: 298 (including HTML, PDF, and XML)
HTML PDF XML Total Supplement BibTeX EndNote
215 79 4 298 33 2 8
  • HTML: 215
  • PDF: 79
  • XML: 4
  • Total: 298
  • Supplement: 33
  • BibTeX: 2
  • EndNote: 8
Views and downloads (calculated since 17 Jan 2020)
Cumulative views and downloads (calculated since 17 Jan 2020)

Viewed (geographical distribution)

Total article views: 266 (including HTML, PDF, and XML) Thereof 266 with geography defined and 0 with unknown origin.
Country # Views %
  • 1



No saved metrics found.


No discussed metrics found.
Latest update: 07 Apr 2020
Short summary
The gas-phase reactions of organic compounds in the atmosphere are a crucial step in the degradation of anthropogenic and biogenic emissions and the formation of secondary pollutants. This work is an attempt to produce a dataset that is as comprehensive as possible regarding the multitude of chemicals that react in the atmosphere. We find that we are able to make substantial improvements upon previous compendia, and that this progress will help improve our understanding of atmospheric chemistry.
The gas-phase reactions of organic compounds in the atmosphere are a crucial step in the...