Standard Chemical Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons and Their Isomer Groups. II. Pyrene Series, Naphthopyrene Series, and Coronene Series
- 1 January 1989
- journal article
- Published by AIP Publishing in Journal of Physical and Chemical Reference Data
- Vol. 18 (1) , 77-109
- https://doi.org/10.1063/1.555826
Abstract
The tables in our first paper on polycyclic aromatic hydrocarbons [J. Phys. Chem. Ref. Data 1 7, 241 (1988)] have been extended by calculating thermodynamic properties for the first four isomer groups in the pyrene series, the first three isomer groups in the naphthopyrene series, and the first three isomer groups in the coronene series. Successive isomer groups in each series differ by C4H2. Since chemical thermodynamic properties are known for only a limited number of polycyclic aromatic hydrocarbons, the properties of individual species have been estimated using Benson group values of Stein and Fahr for temperatures from 298.15 to 3000 K. Values of C○P , S°, Δf H°, and Δf G° have been calculated in joules for a standard state pressure of 1 bar. The chemical thermodynamic properties of the individual species have also been calculated. The isomer group values provide a basis for extrapolating to higher carbon numbers where it is not feasible to consider individual molecular species.Keywords
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