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Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate, and Dipropyl Carbonate
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    Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate, and Dipropyl Carbonate
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    Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technická 5, CZ-166 28 Prague 6, Czech Republic
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    Journal of Chemical & Engineering Data

    Cite this: J. Chem. Eng. Data 2017, 62, 10, 3206–3215
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    https://doi.org/10.1021/acs.jced.7b00295
    Published August 9, 2017
    Copyright © 2017 American Chemical Society

    Abstract

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    In this work, a thermodynamic study of important industrial solvents, dimethyl carbonate (CAS RN: 616-38-6), diethyl carbonate (CAS RN: 105-58-8), and dipropyl carbonate (CAS RN: 623-96-1), is presented. The vapor pressure pressure measurements were performed using the static method in the temperature interval 238–308 K. Heat capacities of condensed phases were measured by Tian–Calvet calorimetry in the temperature interval 260–358 K. The phase behavior was investigated by DSC in the temperature interval 183–300 K. The thermodynamic properties in the ideal gaseous state were calculated using the methods of statistical thermodynamics based on calculated fundamental vibrational frequencies and molecular structure data. Calculated ideal-gas heat capacities and experimental data on vapor pressures, condensed phase heat capacities, and vaporization enthalpies were treated simultaneously to obtain a consistent thermodynamic description.

    Copyright © 2017 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jced.7b00295.

    • (i) Description of the SimCor method; (ii) graphical comparison of vaporization enthalpies; (iii) measurement of phase behavior and enthalpies of fusion (thermograms of DSC measurements); (iv) details on DFT calculations; (v) tables containing recommended sublimation and vapor pressures and enthalpies (PDF)

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    Cited By

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    This article is cited by 28 publications.

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    Journal of Chemical & Engineering Data

    Cite this: J. Chem. Eng. Data 2017, 62, 10, 3206–3215
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jced.7b00295
    Published August 9, 2017
    Copyright © 2017 American Chemical Society

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