Standard Chemical Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons and Their Isomer Groups I. Benzene Series

Abstract

The polycyclic aromatic hydrocarbons can be organized into an infinite number of series in each of which successive isomer groups differ by C4H2. The first series starts with benzene, and chemical thermodynamic tables are presented here for C6H6, C10H8, C14H10, C18H12, C22H14, and C26H16 in the ideal gas phase. Since chemical thermodynamic properties are known for only several 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°, ΔfH°, and ΔfG° have been calculated in joules for a standard state pressure of 1 bar. The chemical thermodynamic properties of the isomer groups have also been calculated. This provides a basis for extrapolating to higher carbon numbers where it is not feasible to consider individual molecular species. © 1988, American Institute of Physics for the National Institute of Standards and Technology. All rights reserved.