Thermochemical Properties of Selected Terpenes
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Thermochemical Properties of Selected Terpenes Zdeněk Wagner1 · Magdalena Bendová1 · Jan Rotrekl1 Received: 22 January 2020 / Accepted: 3 June 2020 © Springer Science+Business Media, LLC, part of Springer Nature 2020
Abstract This work is a continuation of our project of physico-chemical characterization of terpenic compounds participating as a source of secondary organic aerosols. In this work, S-(–)-limonene, terpinolene, (1R)-(–)-myrtenal, and α-terpinyl acetate were studied. Their densities, sound velocities, and isobaric heat capacities were measured in the temperature range (290–343) K, vapor pressures were measured in temperature range where stable boiling was achieved. The previous work was supplemented by measurement of isobaric heat capacities of α-pinene and β-pinene. Experimental values of vapor pressures were compared with prediction by COSMO-RS. Modern nonstatistical algorithms based on mathematical gnostics were used for data analysis. Keywords Terpene · Heat capacity · Vapor pressure · Mathematical gnostics
1 Introduction As described in our previous paper [1], terpenes and terpenoids are natural substances present in various plants. Being green chemicals they have found their use in many branches of industry. They are emitted from the foliage and after oxidation and ozonolysis in the atmosphere they are responsible for formation of cloud condensation nuclei. The aim of the previous paper was a proof of the experimental technique for measurement of properties of compounds that are not stable at higher temperatures. In addition, the advantages of the Clarke and Glew equation over the simple Antoine equation was demonstrated. The aim of this work is to measure thermophysical properties of other terpenic substances as well as to test the abilities of the Clarke and Glew equation. It is important to test whether Electronic supplementary material The online version of this article (https://doi.org/10.1007/s1095 3-020-01016-9) contains supplementary material, which is available to authorized users. * Zdeněk Wagner [email protected] Magdalena Bendová [email protected] Jan Rotrekl [email protected] 1
Department of Aerosols Chemistry and Physics, Institute of Chemical Process Fundamentals of the CAS, v. v. i., Rozvojová 135/1, 165 02 Prague 6, Czech Republic
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Journal of Solution Chemistry
this equation is able to extrapolate vapor pressure to temperatures which are experimentally inaccessible by our apparatus. The experimental vapor pressures were also compared with a prediction by means of the COSMO-RS methodology. Indeed, reliable vapor pressure data are notoriously difficult to measure and/or find in the literature. For this reason, we decided to obtain a quantitative comparison between our experimental data and the modelled ones to assess the predictive power of the model. COSMO-RS seemed an obvious choice in this sense, as it is the single model available that allows for an a priori prediction of vapor pressures [2].
2 Materials All chemicals used in this w
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