Thermodynamic properties of isoprene- and monoterpene-derived organosulfates estimated with COSMO<i>therm</i>

Hyttinen, Noora; Elm, Jonas; Malila, Jussi; Calderón, Silvia M.; Prisle, Nønne L.

doi:https://doi.org/10.5194/acp-20-5679-2020

Articles | Volume 20, issue 9

https://doi.org/10.5194/acp-20-5679-2020

© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.

https://doi.org/10.5194/acp-20-5679-2020

© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.

Articles | Volume 20, issue 9

Research article

|

13 May 2020

Research article |

| 13 May 2020

Thermodynamic properties of isoprene- and monoterpene-derived organosulfates estimated with COSMOtherm

Noora Hyttinen, Jonas Elm, Jussi Malila, Silvia M. Calderón, and Nønne L. Prisle

Supplement

https://doi.org/10.5194/acp-20-5679-2020-supplement

Data sets

Supplementary data for the manuscript "Thermodynamic properties of isoprene and monoterpene derived organosulfates estimated with COSMOtherm" N. Hyttinen, J. Elm, J. Malila, S. M. Calderón, and N. L. Prisle, https://doi.org/10.5281/zenodo.3552309

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Short summary

Organosulfates have been identified in atmospheric secondary organic aerosol (SOA). The thermodynamic properties of SOA constituents, such as organosulfates, affect the stability and atmospheric impact of the SOA. Here we present estimated solubility, activity, pK_a, saturation vapor pressure and Henry's law solubility values for several atmospherically relevant monoterpene- and isoprene-derived organosulfate compounds. These properties can be used, for example, in aerosol process modeling.