Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons María Victoria Rouxa… and Manuel Temprado Instituto de Química Física “Rocasolano,” CSIC, Serrano 119, 28006 Madrid, Spain James S. Chickos Department of Chemistry and Biochemistry, University of Missouri-St. Louis, One University Boulevard, St. Louis, Missouri 63121-4499, USA Yatsuhisa Nagano Research Center for Molecular Thermodynamics, Graduate School of Science, Osaka University, Toyonaka 560-0043, Japan ͑Received 1 October 2007; revised manuscript received 5 June 2008; accepted 11 June 2008; published online 23 October 2008͒ Experimental thermochemical properties of benzene, toluene, and 63 polycyclic aro- matic hydrocarbons, published within the period 1878–2008 ͑over 350 references͒, are reported. Available experimental data for the enthalpies of combustion used to calculate enthalpies of formation in the condensed state, combined with sublimation, vaporization, and fusion enthalpies, are critically evaluated. Whenever possible, recommended values for these thermochemical properties and for the enthalpies of formation in the gas state at T=298.15 K are provided. © 2008 American Institute of Physics. ͓DOI: 10.1063/1.2955570͔ CONTENTS 7.3.2. Enthalpy of fusion............... 1875 7.3.3. Enthalpy of vaporization. ......... 1876 7.3.4. Enthalpy of sublimation........... 1876 1. Introduction.............................. 1864 7.3.5. Summary....................... 1876 2. Enthalpies of Formation.................... 1865 7.4. Indane.............................. 1877 3. Phase Change Enthalpies................... 1866 7.4.1. Enthalpy of formation ͑liquid͒...... 1877 3.1. Vaporization Enthalpies................ 1867 7.4.2. Enthalpy of fusion............... 1877 3.2. Sublimation enthalpies................. 1867 7.4.3. Enthalpy of vaporization. ......... 1878 3.3. Fusion Enthalpies..................... 1867 7.4.4. Enthalpy of sublimation........... 1878 3.4. Estimated Properties................... 1868 7.4.5. Summary....................... 1878 4. Evaluation of the Data..................... 1868 7.5. Naphthalene.......................... 1879 ͑ ͒ 5. Recommendations. ........................ 1869 7.5.1. Enthalpy of formation solid ...... 1879 7.5.2. Enthalpy of fusion............... 1880 6. Compounds Evaluated..................... 1869 7.5.3. Enthalpy of vaporization. ......... 1880 7. Data Sheets and Recommendations........... 1870 7.5.4. Enthalpy of sublimation........... 1881 7.1. Benzene............................. 1870 7.5.5. Summary....................... 1882 ͑ ͒ 7.1.1. Enthalpy of formation liquid ...... 1870 7.6. Biphenylene. ......................... 1883 7.1.2. Enthalpy of fusion............... 1871 7.6.1. Enthalpy of formation ͑solid͒...... 1883 7.1.3. Enthalpy of vaporization. ......... 1871 7.6.2. Enthalpy of fusion............... 1883 7.1.4. Enthalpy of sublimation........... 1872 7.6.3. Enthalpy of vaporization. ......... 1884 7.1.5. Summary....................... 1872 7.6.4. Enthalpy of sublimation........... 1884 7.2. Toluene............................. 1873 7.6.5. Summary....................... 1884 ͑ ͒ 7.2.1. Enthalpy of formation liquid ...... 1873 7.7. Acenaphthylene....................... 1885 7.2.2. Enthalpy of fusion............... 1874 7.7.1. Enthalpy of formation ͑solid͒...... 1885 7.2.3. Enthalpy of vaporization. ......... 1874 7.7.2. Enthalpy of fusion............... 1885 7.2.4. Enthalpy of sublimation........... 1874 7.7.3. Enthalpy of vaporization. ......... 1886 7.2.5. Summary....................... 1875 7.7.4. Enthalpy of sublimation........... 1886 7.3. Indene.............................. 1875 7.7.5. Summary....................... 1887 ͑ ͒ 7.3.1. Enthalpy of formation liquid ...... 1875 7.8. Acenaphthene. ...................... 1887 7.8.1. Enthalpy of formation ͑solid͒...... 1887 a͒ Author to whom correspondence should be addressed; electronic mail: 7.8.2. Enthalpy of fusion............... 1888 [email protected]. © 2008 American Institute of Physics. 7.8.3. Enthalpy of vaporization. ......... 1888 0047-2689/2008/37„4…/1855/142/$42.001855 J. Phys. Chem. Ref. Data, Vol. 37, No. 4, 2008 1856 ROUX ET AL. 7.8.4. Enthalpy of sublimation........... 1889 7.18. 1-Phenylnaphthalene................... 1912 7.8.5. Summary....................... 1889 7.18.1. Enthalpy of formation ͑solid͒...... 1912 7.9. Biphenyl............................ 1890 7.18.2. Enthalpy of fusion............... 1912 7.9.1. Enthalpy of formation ͑solid͒...... 1890 7.18.3. Enthalpy of vaporization. ......... 1912 7.9.2. Enthalpy of fusion............... 1890 7.18.4. Enthalpy of sublimation........... 1912 7.9.3. Enthalpy of vaporization. ......... 1891 7.18.5. Summary....................... 1913 7.9.4. Enthalpy of sublimation........... 1891 7.19. 11H-Benzo͓a͔fluorene................. 1913 7.9.5. Summary....................... 1892 7.19.1. Enthalpy of formation ͑solid͒...... 1913 7.10. Fluorene............................. 1893 7.19.2. Enthalpy of fusion............... 1913 7.10.1. Enthalpy of formation ͑solid͒...... 1893 7.19.3. Enthalpy of vaporization. ......... 1913 7.10.2. Enthalpy of fusion............... 1893 7.19.4. Enthalpy of sublimation........... 1914 7.10.3. Enthalpy of vaporization. ......... 1894 7.19.5. Summary....................... 1914 7.10.4. Enthalpy of sublimation........... 1894 7.20. 11H-Benzo͓b͔fluorene................. 1914 7.10.5. Summary....................... 1895 7.20.1. Enthalpy of formation ͑solid͒...... 1914 7.11. Diphenylmethane...................... 1895 7.20.2. Enthalpy of fusion............... 1915 7.11.1. Enthalpy of formation ͑liquid͒...... 1895 7.20.3. Enthalpy of vaporization. ......... 1915 7.11.2. Enthalpy of formation ͑solid͒...... 1896 7.20.4. Enthalpy of sublimation........... 1915 7.11.3. Enthalpy of fusion............... 1896 7.20.5. Summary....................... 1916 7.11.4. Enthalpy of vaporization. ......... 1896 7.21. Naphthacene......................... 1916 7.11.5. Enthalpy of sublimation........... 1897 7.21.1. Enthalpy of formation ͑solid͒...... 1916 7.11.6. Summary....................... 1897 7.21.2. Enthalpy of fusion............... 1916 7.12. Pyracyclene.......................... 1898 7.21.3. Enthalpy of vaporization. ......... 1917 7.12.1. Enthalpy of formation ͑solid͒...... 1898 7.21.4. Enthalpy of sublimation........... 1917 7.12.2. Enthalpy of fusion............... 1898 7.21.5. Summary....................... 1917 7.12.3. Enthalpy of vaporization. ......... 1898 7.22. Benz͓a͔anthracene..................... 1918 7.12.4. Enthalpy of sublimation........... 1898 7.22.1. Enthalpy of formation ͑solid͒...... 1918 7.12.5. Summary....................... 1899 7.22.2. Enthalpy of fusion............... 1918 7.13. Anthracene........................... 1899 7.22.3. Enthalpy of vaporization. ......... 1919 7.13.1. Enthalpy of formation ͑solid͒...... 1899 7.22.4. Enthalpy of sublimation........... 1919 7.13.2. Enthalpy of fusion............... 1900 7.22.5. Summary....................... 1919 7.13.3. Enthalpy of vaporization. ......... 1900 7.23. Triphenylene......................... 1920 7.13.4. Enthalpy of sublimation........... 1901 7.23.1. Enthalpy of formation ͑solid͒...... 1920 7.13.5. Summary....................... 1902 7.23.2. Enthalpy of fusion............... 1920 7.14. Phenanthrene. ....................... 1902 7.23.3. Enthalpy of vaporization. ......... 1921 7.14.1. Enthalpy of formation ͑solid͒...... 1902 7.23.4. Enthalpy of sublimation........... 1921 7.14.2. Enthalpy of fusion............... 1903 7.23.5. Summary....................... 1922 7.14.3. Enthalpy of vaporization. ......... 1904 7.24. Chrysene............................ 1922 7.14.4. Enthalpy of sublimation........... 1904 7.24.1. Enthalpy of formation ͑solid͒...... 1922 7.14.5. Summary....................... 1905 7.24.2. Enthalpy of fusion............... 1922 7.15. Pyracene. .......................... 1906 7.24.3. Enthalpy of vaporization. ......... 1923 7.15.1. Enthalpy of formation ͑solid͒...... 1906 7.24.4. Enthalpy of sublimation........... 1923 7.15.2. Enthalpy of fusion............... 1906 7.24.5. Summary....................... 1924 7.15.3. Enthalpy of vaporization. ......... 1906 7.25. Benzo͓c͔phenanthrene.................. 1924 7.15.4. Enthalpy of sublimation........... 1906 7.25.1. Enthalpy of formation ͑solid͒...... 1924 7.15.5. Summary....................... 1907 7.25.2. Enthalpy of fusion............... 1925 7.16. Pyrene.............................. 1907 7.25.3. Enthalpy of vaporization. ......... 1925 7.16.1. Enthalpy of formation ͑solid͒...... 1907 7.25.4. Enthalpy of sublimation........... 1925 7.16.2. Enthalpy of fusion............... 1907 7.25.5. Summary....................... 1925 7.16.3. Enthalpy of vaporization. ......... 1908 7.26. p-Terphenyl.......................... 1926 7.16.4. Enthalpy of sublimation........... 1909 7.26.1. Enthalpy of formation ͑solid͒...... 1926 7.16.5. Summary....................... 1909 7.26.2. Enthalpy of fusion............... 1926 7.17. Fluoranthene......................... 1910 7.26.3. Enthalpy of vaporization. ......... 1927 7.17.1. Enthalpy of formation ͑solid͒...... 1910 7.26.4. Enthalpy of sublimation........... 1927 7.17.2. Enthalpy of fusion............... 1910 7.26.5. Summary....................... 1927 7.17.3. Enthalpy of vaporization. ......... 1911 7.27. o-Terphenyl.......................... 1928 7.17.4. Enthalpy of sublimation........... 1911 7.27.1. Enthalpy of formation ͑solid͒...... 1928 7.17.5. Summary....................... 1912 7.27.2. Enthalpy of fusion..............