Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure

Authors

  • Dr. Karen Nass,

    1. Institut für Ökologische Chemie, GSF-Forschungszentrum für Umwelt und Gesundheit GmbH, Ingolstädter, Landstrasse 1, D-85758 Oberschleissheim (Germany). Telefax: Int. code + (89)3187-3371, e-mail: lenoir@gsf.de
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  • Prof. Dr. Dieter Lenoir,

    Corresponding author
    1. Institut für Ökologische Chemie, GSF-Forschungszentrum für Umwelt und Gesundheit GmbH, Ingolstädter, Landstrasse 1, D-85758 Oberschleissheim (Germany). Telefax: Int. code + (89)3187-3371, e-mail: lenoir@gsf.de
    • Institut für Ökologische Chemie, GSF-Forschungszentrum für Umwelt und Gesundheit GmbH, Ingolstädter Landstrasse 1, D-85758 Oberschleissheim (Germany). Telefax: Int. code + (89)3187-3371, e-mail: lenoir@gsf.de
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  • Prof. Dr. Antonius Kettrup

    1. Institut für Ökologische Chemie, GSF-Forschungszentrum für Umwelt und Gesundheit GmbH, Ingolstädter, Landstrasse 1, D-85758 Oberschleissheim (Germany). Telefax: Int. code + (89)3187-3371, e-mail: lenoir@gsf.de
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  • We thank Prof. Cammenga, Braunschweig, and Dr. Utschick, GSF, for valuable suggestions.

  • Dedicated to Professor Paul von Ragué Schleyer on the occasion of his 65th birthday

Abstract

The relationship between molecular structure and vapor pressure was studied for polycyclic aromatic hydrocarbons. The recognition of defined structural features enables the thermodynamic properties to be calculated, and the results agree well with experimental data.

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