Table Of Content

Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons María Victoria Rouxa… and Manuel Temprado InstitutodeQuímicaFísica“Rocasolano,”CSIC,Serrano119,28006Madrid,Spain James S. Chickos DepartmentofChemistryandBiochemistry,UniversityofMissouri-St.Louis,OneUniversityBoulevard,St.Louis, Missouri63121-4499,USA Yatsuhisa Nagano ResearchCenterforMolecularThermodynamics,GraduateSchoolofScience,OsakaUniversity,Toyonaka560-0043,Japan (cid:1)Received1October2007;revisedmanuscriptreceived5June2008;accepted11June2008;publishedonline23October2008(cid:2) Experimental thermochemical properties of benzene, toluene, and 63 polycyclic aromatic hydrocarbons, published within the period 1878–2008 (cid:1)over 350 references(cid:2), are reported.Available experimental data for the enthalpies of combustion used to calculate enthalpiesofformationinthecondensedstate,combinedwithsublimation,vaporization, and fusion enthalpies, are critically evaluated. Whenever possible, recommended values forthesethermochemicalpropertiesandfortheenthalpiesofformationinthegasstateat T=298.15 K are provided. © 2008 American Institute of Physics. (cid:3)DOI:10.1063/1.2955570(cid:4) 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 (cid:1)liquid(cid:2)...... 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 7.5.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1879 5. Recommendations......................... 1869 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 (cid:1)liquid(cid:2)...... 1870 7.6. Biphenylene.......................... 1883 7.1.2. Enthalpy of fusion............... 1871 7.6.1. Enthalpy of formation (cid:1)solid(cid:2)...... 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 (cid:1)liquid(cid:2)...... 1873 7.7. Acenaphthylene....................... 1885 7.2.2. Enthalpy of fusion............... 1874 7.7.1. Enthalpy of formation (cid:1)solid(cid:2)...... 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 (cid:1)liquid(cid:2)...... 1875 7.8. Acenaphthene........................ 1887 7.8.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1887 a(cid:2)Author to whom correspondence should be addressed; electronic mail: 7.8.2. Enthalpy of fusion............... 1888 [email protected]. 7.8.3. Enthalpy of vaporization.......... 1888 ©2008AmericanInstituteofPhysics. 0047-2689/2008/37„4…/1855/142/$42.00 1855 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 (cid:1)solid(cid:2)...... 1912 7.9. Biphenyl............................ 1890 7.18.2. Enthalpy of fusion............... 1912 7.9.1. Enthalpy of formation (cid:1)solid(cid:2)...... 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-Benzo(cid:3)a(cid:4)fluorene................. 1913 7.9.5. Summary....................... 1892 7.19.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1913 7.10. Fluorene............................. 1893 7.19.2. Enthalpy of fusion............... 1913 7.10.1. Enthalpy of formation (cid:1)solid(cid:2)...... 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-Benzo(cid:3)b(cid:4)fluorene................. 1914 7.10.5. Summary....................... 1895 7.20.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1914 7.11. Diphenylmethane...................... 1895 7.20.2. Enthalpy of fusion............... 1915 7.11.1. Enthalpy of formation (cid:1)liquid(cid:2)...... 1895 7.20.3. Enthalpy of vaporization.......... 1915 7.11.2. Enthalpy of formation (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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. Benz(cid:3)a(cid:4)anthracene..................... 1918 7.12.4. Enthalpy of sublimation........... 1898 7.22.1. Enthalpy of formation (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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. Benzo(cid:3)c(cid:4)phenanthrene.................. 1924 7.15.4. Enthalpy of sublimation........... 1906 7.25.1. Enthalpy of formation (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 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 (cid:1)solid(cid:2)...... 1928 7.17.5. Summary....................... 1912 7.27.2. Enthalpy of fusion............... 1928 J.Phys.Chem.Ref.Data,Vol.37,No.4,2008 THERMOCHEMISTRY OF POLYCYCLICAROMATIC HYDROCARBONS 1857 7.27.3. Enthalpy of vaporization.......... 1929 7.37. 9-Phenylanthracene.................... 1946 7.27.4. Enthalpy of sublimation........... 1929 7.37.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1946 7.27.5. Summary....................... 1929 7.37.2. Enthalpy of fusion............... 1946 7.28. m-Terphenyl.......................... 1930 7.37.3. Enthalpy of vaporization.......... 1947 7.28.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1930 7.37.4. Enthalpy of sublimation........... 1947 7.28.2. Enthalpy of fusion............... 1930 7.37.5. Summary....................... 1948 7.28.3. Enthalpy of vaporization.......... 1931 7.38. Benzo(cid:3)ghi(cid:4)perylene.................... 1948 7.28.4. Enthalpy of sublimation........... 1931 7.38.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1948 7.28.5. Summary....................... 1931 7.38.2. Enthalpy of fusion............... 1948 7.29. 5,12-Dihydrotetracene.................. 1932 7.38.3. Enthalpy of vaporization.......... 1949 7.29.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1932 7.38.4. Enthalpy of sublimation........... 1949 7.29.2. Enthalpy of fusion............... 1932 7.38.5. Summary....................... 1949 7.29.3. Enthalpy of vaporization.......... 1932 7.39. Benzo(cid:3)b(cid:4)triphenylene.................. 1950 7.29.4. Enthalpy of sublimation........... 1932 7.39.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1950 7.29.5. Summary....................... 1932 7.39.2. Enthalpy of fusion............... 1950 7.30. Triphenylmethane..................... 1933 7.39.3. Enthalpy of vaporization.......... 1950 7.30.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1933 7.39.4. Enthalpy of sublimation........... 1951 7.30.2. Enthalpy of fusion............... 1933 7.39.5. Summary....................... 1951 7.30.3. Enthalpy of vaporization.......... 1934 7.40. Dibenz(cid:3)a,h(cid:4)anthracene................. 1951 7.30.4. Enthalpy of sublimation........... 1934 7.40.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1952 7.30.5. Summary....................... 1935 7.40.2. Enthalpy of fusion............... 1952 7.31. Corannulene.......................... 1935 7.40.3. Enthalpy of vaporization.......... 1952 7.31.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1935 7.40.4. Enthalpy of sublimation........... 1953 7.31.2. Enthalpy of fusion............... 1936 7.40.5. Summary....................... 1953 7.31.3. Enthalpy of vaporization.......... 1936 7.41. Pentacene............................ 1953 7.31.4. Enthalpy of sublimation........... 1936 7.41.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1953 7.31.5. Summary....................... 1936 7.41.2. Enthalpy of fusion............... 1954 7.32. Perylene............................. 1937 7.41.3. Enthalpy of vaporization.......... 1954 7.32.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1937 7.41.4. Enthalpy of sublimation........... 1954 7.32.2. Enthalpy of fusion............... 1937 7.41.5. Summary....................... 1954 7.32.3. Enthalpy of vaporization.......... 1938 7.42. Picene.............................. 1954 7.32.4. Enthalpy of sublimation........... 1938 7.42.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1954 7.32.5. Summary....................... 1939 7.42.2. Enthalpy of fusion............... 1955 7.33. Benzo(cid:3)a(cid:4)pyrene....................... 1939 7.42.3. Enthalpy of vaporization.......... 1955 7.33.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1939 7.42.4. Enthalpy of sublimation........... 1955 7.33.2. Enthalpy of fusion............... 1939 7.42.5. Summary....................... 1955 7.33.3. Enthalpy of vaporization.......... 1940 7.43. 1,2:6,7-Dibenzophenanthrene............ 1956 7.33.4. Enthalpy of sublimation........... 1940 7.43.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1956 7.33.5. Summary....................... 1941 7.43.2. Enthalpy of fusion............... 1956 7.34. Benzo(cid:3)e(cid:4)pyrene....................... 1941 7.43.3. Enthalpy of vaporization.......... 1956 7.34.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1941 7.43.4. Enthalpy of sublimation........... 1956 7.34.2. Enthalpy of fusion............... 1942 7.43.5. Summary....................... 1956 7.34.3. Enthalpy of vaporization.......... 1942 7.44. Coronene............................ 1957 7.34.4. Enthalpy of sublimation........... 1942 7.44.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1957 7.34.5. Summary....................... 1943 7.44.2. Enthalpy of fusion............... 1957 7.35. Benzo(cid:3)k(cid:4)fluoranthene.................. 1943 7.44.3. Enthalpy of vaporization.......... 1958 7.35.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1943 7.44.4. Enthalpy of sublimation........... 1958 7.35.2. Enthalpy of fusion............... 1944 7.44.5. Summary....................... 1958 7.35.3. Enthalpy of vaporization.......... 1944 7.45. 1,2:4,5-Dibenzopyrene................. 1959 7.35.4. Enthalpy of sublimation........... 1944 7.45.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1959 7.35.5. Summary....................... 1945 7.45.2. Enthalpy of fusion............... 1959 7.36. Benz(cid:3)e(cid:4)acephenanthrylene.............. 1945 7.45.3. Enthalpy of vaporization.......... 1959 7.36.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1945 7.45.4. Enthalpy of sublimation........... 1959 7.36.2. Enthalpy of fusion............... 1945 7.45.5. Summary....................... 1960 7.36.3. Enthalpy of vaporization.......... 1945 7.46. Dibenzo(cid:3)b,def(cid:4)chrysene................ 1960 7.36.4. Enthalpy of sublimation........... 1946 7.46.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1960 7.36.5. Summary....................... 1946 7.46.2. Enthalpy of fusion............... 1960 J.Phys.Chem.Ref.Data,Vol.37,No.4,2008 1858 ROUX ET AL. 7.46.3. Enthalpy of vaporization.......... 1960 7.56. 9,9(cid:1)-Bianthracene..................... 1974 7.46.4. Enthalpy of sublimation........... 1960 7.56.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1974 7.46.5. Summary....................... 1961 7.56.2. Enthalpy of fusion............... 1974 7.47. Benzo(cid:3)rst(cid:4)pentaphene.................. 1961 7.56.3. Enthalpy of vaporization.......... 1974 7.47.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1961 7.56.4. Enthalpy of sublimation........... 1975 7.47.2. Enthalpy of fusion............... 1961 7.56.5. Summary....................... 1975 7.47.3. Enthalpy of vaporization.......... 1961 7.57. 9,9(cid:1)-Biphenanthrene................... 1975 7.47.4. Enthalpy of sublimation........... 1961 7.57.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1975 7.47.5. Summary....................... 1962 7.57.2. Enthalpy of fusion............... 1976 7.48. Dibenzo(cid:3)fg,op(cid:4)naphthacene............. 1962 7.57.3. Enthalpy of vaporization.......... 1976 7.48.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1962 7.57.4. Enthalpy of sublimation........... 1976 7.48.2. Enthalpy of fusion............... 1962 7.57.5. Summary....................... 1976 7.48.3. Enthalpy of vaporization.......... 1962 7.58. Pyranthrene.......................... 1976 7.48.4. Enthalpy of sublimation........... 1962 7.58.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1977 7.48.5. Summary....................... 1963 7.58.2. Enthalpy of fusion............... 1977 7.49. 1,3,5-Triphenylbenzene................. 1963 7.58.3. Enthalpy of vaporization.......... 1977 7.49.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1963 7.58.4. Enthalpy of sublimation........... 1977 7.49.2. Enthalpy of fusion............... 1963 7.58.5. Summary....................... 1977 7.49.3. Enthalpy of vaporization.......... 1964 7.59. p-Quinquephenyl...................... 1977 7.49.4. Enthalpy of sublimation........... 1964 7.59.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1977 7.49.5. Summary....................... 1965 7.59.2. Enthalpy of fusion............... 1977 7.50. p-Quaterphenyl....................... 1965 7.59.3. Enthalpy of vaporization.......... 1978 7.50.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1965 7.59.4. Enthalpy of sublimation........... 1978 7.50.2. Enthalpy of fusion............... 1966 7.59.5. Summary....................... 1978 7.50.3. Enthalpy of vaporization.......... 1966 7.60. Ovalene............................. 1978 7.50.4. Enthalpy of sublimation........... 1966 7.60.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1978 7.50.5. Summary....................... 1966 7.60.2. Enthalpy of fusion............... 1978 7.51. Tetraphenylmethane.................... 1967 7.60.3. Enthalpy of vaporization.......... 1979 7.51.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1967 7.60.4. Enthalpy of sublimation........... 1979 7.51.2. Enthalpy of fusion............... 1967 7.60.5. Summary....................... 1979 7.51.3. Enthalpy of vaporization.......... 1967 7.61. ViolanthreneA....................... 1979 7.51.4. Property........................ 1968 7.61.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1979 7.51.5. Summary....................... 1968 7.61.2. Enthalpy of fusion............... 1979 7.52. Tetrabenzonaphthalene................. 1968 7.61.3. Enthalpy of vaporization.......... 1979 7.52.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1969 7.61.4. Enthalpy of sublimation........... 1980 7.52.2. Enthalpy of fusion............... 1969 7.61.5. Summary....................... 1980 7.52.3. Enthalpy of vaporization.......... 1969 7.62. Violanthrene B....................... 1980 7.52.4. Enthalpy of sublimation........... 1969 7.62.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1980 7.52.5. Summary....................... 1969 7.62.2. Enthalpy of fusion............... 1980 7.53. 9,10-Diphenylanthracene................ 1970 7.62.3. Enthalpy of vaporization.......... 1980 7.53.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1970 7.62.4. Enthalpy of sublimation........... 1981 7.53.2. Enthalpy of fusion............... 1970 7.62.5. Summary....................... 1981 7.53.3. Enthalpy of vaporization.......... 1970 7.63. IsoviolanthreneA..................... 1981 7.53.4. Enthalpy of sublimation........... 1970 7.63.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1981 7.53.5. Summary....................... 1971 7.63.2. Enthalpy of fusion............... 1981 7.54. 9,9(cid:1)-Bifluorenyl...................... 1971 7.63.3. Enthalpy of vaporization.......... 1981 7.54.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1972 7.63.4. Enthalpy of sublimation........... 1982 7.54.2. Enthalpy of fusion............... 1972 7.63.5. Summary....................... 1982 7.54.3. Enthalpy of vaporization.......... 1972 7.64. Isoviolanthrene B..................... 1982 7.54.4. Enthalpy of sublimation........... 1972 7.64.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1982 7.54.5. Summary....................... 1973 7.64.2. Enthalpy of fusion............... 1982 7.55. meso-Naphthodianthrene................ 1973 7.64.3. Enthalpy of vaporization.......... 1982 7.55.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1973 7.64.4. Enthalpy of sublimation........... 1982 7.55.2. Enthalpy of fusion............... 1973 7.64.5. Summary....................... 1983 7.55.3. Enthalpy of vaporization.......... 1973 7.65. Tetrabenzo(cid:3)de,hi,op,st(cid:4)pentacene........ 1983 7.55.4. Enthalpy of sublimation........... 1973 7.65.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1983 7.55.5. Summary....................... 1974 7.65.2. Enthalpy of fusion............... 1983 J.Phys.Chem.Ref.Data,Vol.37,No.4,2008 THERMOCHEMISTRY OF POLYCYCLICAROMATIC HYDROCARBONS 1859 7.65.3. Enthalpy of vaporization.......... 1983 enthalpies of vaporization and formation in the 7.65.4. Enthalpy of sublimation........... 1983 condensed and gas phases for indane......... 1878 7.65.5. Summary....................... 1984 24. Standard enthalpies of combustion and 7.66. 5,6,11,12-Tetraphenyltetracene........... 1984 formation of naphthalene at T=298.15 K...... 1879 7.66.1. Enthalpy of formation (cid:1)solid(cid:2)...... 1984 25. Ancillary energies of combustion of 7.66.2. Enthalpy of fusion............... 1984 naphthalene.............................. 1879 7.66.3. Enthalpy of vaporization.......... 1984 26. Fusion enthalpy of naphthalene.............. 1880 7.66.4. Enthalpy of sublimation........... 1985 27. Vaporization enthalpy of naphthalene......... 1880 7.66.5. Summary....................... 1985 28. Sublimation enthalpy of naphthalene.......... 1881 8. Summary................................ 1986 29. Ancillary sublimation enthalpy values reported 9. Acknowledgments......................... 1990 for naphthalene........................... 1882 10. Appendix................................ 1990 30. Asummary of experimental and estimated 11. References............................... 1991 phase change enthalpies for naphthalene....... 1882 31. Asummary of recommended experimental List of Tables enthalpies of sublimation and formation in the condensed and gas phases for naphthalene..... 1883 1. Standard enthalpies of combustion and 32. Standard enthalpies of combustion and formation of benzene at T=298.15 K......... 1870 formation of biphenylene at T=298.15 K...... 1883 2. Additional enthalpies of combustion of 33. Fusion enthalpy of biphenylene.............. 1883 benzene in the condensed phase.............. 1871 34. Vaporization enthalpy of biphenylene......... 1884 3. Fusion enthalpy of benzene................. 1871 35. Sublimation enthalpy of biphenylene.......... 1884 4. Vaporization enthalpy of benzene as a function 36. Asummary of experimental and estimated of temperature............................ 1871 phase change enthalpies for biphenylene....... 1884 5. Sublimation enthalpy of benzene............. 1872 37. Asummary of suggested experimental 6. Asummary of experimental and estimated enthalpies of sublimation and formation in the phase change enthalpies for benzene.......... 1872 condensed and gas phases for biphenylene..... 1885 7. Asummary of recommended experimental 38. Standard enthalpies of combustion and enthalpies of formation of benzene in the formation of acenaphthylene at T=298.15 K... 1885 condensed and gas phases and for the enthalpy 39. Fusion enthalpy of acenaphthylene........... 1885 of vaporization........................... 1873 40. Vaporization enthalpy of acenaphthylene....... 1886 8. Standard enthalpies of combustion and 41. Sublimation enthalpy of acenaphthylene....... 1886 formation of toluene at T=298.15 K.......... 1873 42. Asummary of experimental and estimated 9. Additional enthalpies of combustion of toluene.. 1873 phase change enthalpies for acenaphthylene.... 1887 10. Fusion enthalpy of toluene.................. 1874 43. Asummary of suggested enthalpies of 11. Vaporization enthalpy of toluene as a function sublimation and formation in the condensed of temperature............................ 1874 and gas phases for acenaphthylene........... 1887 12. Asummary of experimental and estimated 44. Standard enthalpies of combustion and phase change enthalpies for toluene........... 1875 formation of acenaphthene at T=298.15 K..... 1887 13. Asummary of recommended experimental 45. Fusion enthalpy of acenaphthene............. 1888 enthalpies of vaporization and formation in the 46. Vaporization enthalpy of acenaphthene........ 1888 condensed and gas phases for toluene......... 1875 47. Sublimation enthalpy of acenaphthene......... 1889 14. Standard enthalpies of combustion and 48. Asummary of experimental and estimated formation of indene at T=298.15 K........... 1875 phase change enthalpies for acenaphthene...... 1889 15. Fusion enthalpy of indene.................. 1875 49. Asummary of suggested enthalpies of 16. Vaporization enthalpy of indene.............. 1876 sublimation and formation in the condensed 17. Asummary of experimental and estimated and gas phases for acenaphthene............. 1889 phase change enthalpies for indene........... 1876 50. Standard enthalpies of combustion and 18. Asummary of experimental enthalpies of formation of biphenyl at T=298.15 K......... 1890 vaporization and formation in the condensed 51. Fusion enthalpy of biphenyl................. 1890 and gas phases for indene................... 1876 52. Vaporization enthalpy of biphenyl............ 1891 19. Standard enthalpies of combustion and 53. Sublimation enthalpy of biphenyl............ 1891 formation of indane at T=298.15 K........... 1877 54. Additional sublimation enthalpy values 20. Fusion enthalpy of indane.................. 1877 reported for biphenyl since 1950............. 1892 21. Vaporization enthalpy of indane.............. 1878 55. Asummary of experimental and estimated 22. Asummary of experimental and estimated phase change enthalpies for biphenyl......... 1892 phase change enthalpies for indane........... 1878 56. Asummary of recommended enthalpies of 23. Asummary of recommended experimental sublimation and formation in the condensed J.Phys.Chem.Ref.Data,Vol.37,No.4,2008 1860 ROUX ET AL. and gas phases for biphenyl................. 1892 88. Standard enthalpies of combustion and 57. Standard enthalpies of combustion and formation of pyracene at T=298.15 K......... 1906 formation of fluorene at T=298.15 K......... 1893 89. Sublimation enthalpy of pyracene............ 1906 58. Fusion enthalpy of fluorene................. 1893 90. Asummary of experimental and estimated 59. Vaporization enthalpy of fluorene............ 1894 phase change enthalpies for pyracene......... 1907 60. Sublimation enthalpy of fluorene............. 1894 91. Asummary of available enthalpies of 61. Asummary of experimental and estimated sublimation and formation in the condensed phase change enthalpies for fluorene.......... 1895 and gas phases for pyracene................. 1907 62. Asummary of suggested enthalpies of 92. Standard enthalpies of combustion and sublimation and formation in the condensed formation of pyrene at T=298.15 K.......... 1907 and gas phases for fluorene................. 1895 93. Fusion enthalpy of pyrene.................. 1907 63. Standard enthalpies of combustion and 94. Vaporization enthalpy of pyrene.............. 1908 formation of liquid diphenylmethane at T 95. Sublimation enthalpy of pyrene.............. 1909 =298.15 K............................... 1895 96. Other sublimation enthalpies reported for 64. Standard enthalpies of combustion and pyrene.................................. 1909 formation of crystalline diphenylmethane at T 97. Asummary of experimental and estimated =298.15 K............................... 1896 phase change enthalpies for pyrene........... 1909 65. Fusion enthalpy of diphenylmethane.......... 1896 98. Asummary of suggested enthalpies of 66. Vaporization enthalpy of diphenylmethane..... 1896 sublimation and formation in the condensed 67. Sublimation enthalpy of diphenylmethane...... 1897 and gas phases for pyrene.................. 1910 68. Asummary of experimental and estimated 99. Standard enthalpies of combustion and phase change enthalpies for diphenylmethane... 1897 formation of fluoranthene at T=298.15 K...... 1910 69. Asummary of suggested enthalpies of 100. Fusion enthalpy of fluoranthene.............. 1910 vaporization, sublimation, and formation in the 101. Vaporization enthalpy of fluoranthene......... 1911 condensed and gas phases for diphenylmethane.. 1897 102. Sublimation enthalpies of fluoranthene........ 1911 70. Standard enthalpies of combustion and 103. Asummary of experimental and estimated formation of pyracyclene at T=298.15 K...... 1898 phase change enthalpies for fluoranthene...... 1912 71. Sublimation enthalpy of pyracyclene.......... 1898 104. Asummary of suggested enthalpies of 72. Asummary of experimental and estimated sublimation and formation in the condensed phase change enthalpies for pyracyclene....... 1899 and gas phases for fluoranthene.............. 1912 73. Asummary of available enthalpies of 105. Vaporization enthalpy of 1-phenylnaphthalene.. 1912 sublimation and formation in the condensed 106. Asummary of experimental and estimated and gas phases for pyracyclene.............. 1899 phase change enthalpies for 74. Standard enthalpies of combustion and 1-phenylnaphthalene....................... 1913 formation of anthracene at T=298.15 K....... 1899 107. Fusion enthalpy of 11H-benzo(cid:3)a(cid:4)fluorene...... 1913 75. Fusion enthalpy of anthracene............... 1900 108. Vaporization enthalpy of 11H-benzo(cid:3)a(cid:4)fluorene.. 1913 76. Vaporization enthalpy of anthracene.......... 1900 109. Sublimation enthalpy of 11H-benzo(cid:3)a(cid:4)fluorene.. 1914 77. Sublimation enthalpy of anthracene........... 1901 110. Asummary of experimental and estimated 78. Additional sublimation enthalpy values phase change enthalpies for reported for anthracene..................... 1901 11H-benzo(cid:3)a(cid:4)fluorene...................... 1914 79. Asummary of experimental and estimated 111. Fusion enthalpy of 11H-benzo(cid:3)b(cid:4)fluorene...... 1915 phase change enthalpies for anthracene........ 1902 112. Vaporization enthalpy of 11H-benzo(cid:3)b(cid:4)fluorene.. 1915 80. Asummary of recommended enthalpies of 113. Sublimation enthalpy of 11H-benzo(cid:3)b(cid:4)fluorene.. 1915 sublimation and formation in the condensed 114. Asummary of experimental and estimated and gas phases for anthracene............... 1902 phase change enthalpies for 81. Standard enthalpies of combustion and 11H-benzo(cid:3)b(cid:4)fluorene...................... 1916 formation of phenanthrene at T=298.15 K..... 1902 115. Standard enthalpies of combustion and 82. Fusion enthalpy of phenanthrene............. 1903 formation of naphthacene at T=298.15 K...... 1916 83. Vaporization enthalpy of phenanthrene........ 1904 116. Fusion enthalpy of naphthacene.............. 1916 84. Sublimation enthalpy of phenanthrene......... 1904 117. Sublimation enthalpy of naphthacene......... 1917 85. Additional sublimation enthalpy values 118. Asummary of experimental and estimated reported for phenanthrene................... 1905 phase change enthalpies for naphthacene...... 1917 86. Asummary of experimental and estimated 119. Asummary of available experimental phase change enthalpies for phenanthrene...... 1905 enthalpies of sublimation and formation in the 87. Asummary of recommended enthalpies of condensed and gas phases for naphthacene..... 1917 sublimation and formation in the condensed 120. Standard enthalpies of combustion and and gas phases for phenanthrene............. 1905 formation of benz(cid:3)a(cid:4)anthracene at J.Phys.Chem.Ref.Data,Vol.37,No.4,2008 THERMOCHEMISTRY OF POLYCYCLICAROMATIC HYDROCARBONS 1861 T=298.15 K.............................. 1918 153. Asummary of experimental and estimated 121. Fusion enthalpy of benz(cid:3)a(cid:4)anthracene......... 1918 phase change enthalpies of o-terphenyl........ 1929 122. Vaporization enthalpy of benz(cid:3)a(cid:4)anthracene.... 1919 154. Asummary of suggested enthalpies of 123. Sublimation enthalpy of benz(cid:3)a(cid:4)anthracene..... 1919 sublimation and formation in the condensed 124. Asummary of experimental and estimated and gas phase of o-terphenyl................ 1930 phase change enthalpies for benz(cid:3)a(cid:4)anthracene.. 1919 155. Standard enthalpies of combustion and 125. Asummary of available experimental formation of m-terphenyl at T=298.15 K...... 1930 enthalpies of sublimation and formation in the 156. Fusion enthalpy of m-terphenyl.............. 1930 condensed and gas phases for 157. Vaporization enthalpy of m-terphenyl......... 1931 benzo(cid:3)a(cid:4)anthracene........................ 1920 158. Sublimation enthalpy of m-terphenyl.......... 1931 126. Standard enthalpies of combustion and 159. Asummary of experimental and estimated formation of triphenylene at T=298.15 K...... 1920 phase change enthalpies of m-terphenyl....... 1931 127. Fusion enthalpy of triphenylene.............. 1920 160. Asummary of recommended enthalpies of 128. Vaporization enthalpy of triphenylene......... 1921 sublimation and formation in the condensed 129. Sublimation enthalpy of triphenylene......... 1921 and gas phases of m-terphenyl............... 1931 130. Asummary of suggested experimental and 161. Standard enthalpies of combustion and estimated phase change enthalpies for formation of 5,12-dihydrotetracene at triphenylene.............................. 1922 T=298.15 K.............................. 1932 131. Asummary of suggested enthalpies of 162. Sublimation enthalpy of 5,12-dihydrotetracene.. 1932 sublimation and formation in the condensed 163. Asummary of experimental and estimated and gas phases of triphenylene............... 1922 phase change enthalpies of 132. Standard enthalpies of combustion and 5,12-dihydrotetracene...................... 1932 formation of chrysene at T=298.15 K......... 1922 164. Asummary of available enthalpies of 133. Total phase change enthalpy of chrysene....... 1922 sublimation and formation in the condensed 134. Vaporization enthalpy of chrysene............ 1923 and gas phases of 5,12-dihydrotetracene....... 1933 135. Sublimation enthalpy of chrysene............ 1923 165. Standard enthalpies of combustion and 136. Asummary of experimental and estimated formation of triphenylmethane at T=298.15 K.. 1933 phase change enthalpies of chrysene.......... 1924 166. Fusion enthalpy of triphenylmethane.......... 1933 137. Asummary of available enthalpies of 167. Vaporization enthalpy of triphenylmethane..... 1934 sublimation and formation in the condensed 168. Sublimation enthalpy of triphenylmethane..... 1934 and gas phases of chrysene................. 1924 169. Asummary of experimental and estimated 138. Standard enthalpies of combustion and phase change enthalpies of triphenylmethane... 1935 formation of benzo(cid:3)c(cid:4)phenanthrene at 170. Asummary of suggested enthalpies of T=298.15 K.............................. 1924 sublimation and formation in the condensed 139. Fusion enthalpy of benzo(cid:3)c(cid:4)phenanthrene...... 1925 and gas phases of triphenylmethane........... 1935 140. Sublimation enthalpy of benzo(cid:3)c(cid:4)phenanthrene.. 1925 171. Standard enthalpies of combustion and 141. Asummary of experimental and estimated formation of corannulene at T=298.15 K...... 1935 phase change enthalpies of 172. Fusion enthalpy of corannulene.............. 1936 benzo(cid:3)c(cid:4)phenanthrene...................... 1925 173. Vaporization enthalpy of corannulene......... 1936 142. Asummary of available enthalpies of 174. Sublimation enthalpy of corannulene.......... 1936 sublimation and formation in the condensed 175. Asummary of experimental and estimated and gas phases of benzo(cid:3)c(cid:4)phenanthrene....... 1925 phase change enthalpies for corannulene....... 1936 143. Standard enthalpies of combustion and 176. Asummary of available enthalpies of formation of p-terphenyl at T=298.15 K....... 1926 sublimation and formation in the condensed 144. Fusion enthalpy of p-terphenyl............... 1926 and gas phases of corannulene............... 1937 145. Vaporization enthalpy of p-terphenyl.......... 1927 177. Standard enthalpies of combustion and 146. Sublimation enthalpy of p-terphenyl.......... 1927 formation of perylene at T=298.15 K......... 1937 147. Asummary of experimental and estimated 178. Fusion enthalpy of perylene................. 1937 phase change enthalpies of p-terphenyl........ 1927 179. Vaporization enthalpy of perylene............ 1938 148. Asummary of suggested enthalpies of 180. Sublimation enthalpy of perylene............. 1938 sublimation and formation in the condensed 181. Asummary of experimental and estimated and gas phases of p-terphenyl............... 1928 phase change enthalpies for perylene.......... 1939 149. Standard enthalpies of combustion and 182. Asummary of available enthalpies of formation of o-terphenyl at T=298.15 K....... 1928 sublimation and formation in the condensed 150. Fusion enthalpy of o-terphenyl............... 1928 and gas phase of perylene.................. 1939 151. Vaporization enthalpy of o-terphenyl.......... 1929 183. Fusion enthalpy of benzo(cid:3)a(cid:4)pyrene........... 1939 152. Sublimation enthalpy of o-terphenyl.......... 1929 184. Vaporization enthalpy of benzo(cid:3)a(cid:4)pyrene...... 1940 J.Phys.Chem.Ref.Data,Vol.37,No.4,2008 1862 ROUX ET AL. 185. Sublimation enthalpy of benzo(cid:3)a(cid:4)pyrene....... 1940 1,2:5,6-dibenzanthracene.................... 1953 186. Asummary of experimental and estimated 218. Asummary of experimental and estimated phase change enthalpies for benzo(cid:3)a(cid:4)pyrene.... 1941 phase change enthalpies for 187. Fusion enthalpy of benzo(cid:3)e(cid:4)pyrene........... 1942 1,2:5,6-dibenzanthracene.................... 1953 188. Vaporization enthalpy of benzo(cid:3)e(cid:4)pyrene...... 1942 219. Asummary of available enthalpies of 189. Sublimation enthalpy of benzo(cid:3)e(cid:4)pyrene....... 1942 sublimation and formation in the condensed 190. Asummary of experimental and estimated and gas phases, of 1,2:5,6-dibenzanthracene.... 1953 phase change enthalpies for benzo(cid:3)e(cid:4)pyrene.... 1943 220. Sublimation enthalpy of pentacene........... 1954 191. Standard enthalpies of combustion and 221. Asummary of experimental and estimated formation of benzo(cid:3)k(cid:4)fluoranthene at phase change enthalpies for pentacene........ 1954 T=298.15 K.............................. 1943 222. Fusion enthalpy of picene................... 1955 192. The fusion enthalpy of benzo(cid:3)k(cid:4)fluoranthene... 1944 223. Sublimation enthalpy of picene.............. 1955 193. Vaporization enthalpy of benzo(cid:3)k(cid:4)fluoranthene.. 1944 224. Asummary of experimental and estimated 194. Sublimation enthalpy of benzo(cid:3)k(cid:4)fluoranthene.. 1944 phase change enthalpies for picene........... 1955 195. Asummary of experimental and estimated 225. Sublimation enthalpy of phase change enthalpies for 1,2:6,7-dibenzophenanthrene................ 1956 benzo(cid:3)k(cid:4)fluoranthene....................... 1945 226. Asummary of experimental and estimated 196. Asummary of available enthalpies of phase change enthalpies for sublimation and formation in the condensed 1,2:6,7-dibenzophenanthrene................ 1956 and gas phases of benzo(cid:3)k(cid:4)fluoranthene....... 1945 227. Standard enthalpies of combustion and 197. Vaporization enthalpy of 2,3-benzofluoranthene.. 1945 formation of coronene at T=298.15 K......... 1957 198. Sublimation enthalpy of 2,3-benzofluoranthene.. 1946 228. Fusion enthalpy of coronene................ 1957 199. Asummary of experimental and estimated 229. Vaporization enthalpy of coronene............ 1958 phase change enthalpies for 230. Sublimation enthalpy of coronene............ 1958 2,3-benzofluoranthene...................... 1946 231. Asummary of experimental and estimated 200. Fusion enthalpy of 9-phenylanthracene........ 1946 phase change enthalpies for coronene......... 1958 201. Vaporization enthalpy of 9-phenylanthracene... 1947 232. Asummary of available enthalpies of 202. Sublimation enthalpy of 9-phenylanthracene.... 1947 sublimation and formation in the condensed 203. Asummary of phase change enthalpies for and gas phases of coronene................. 1959 9-phenylanthracene........................ 1948 233. Fusion enthalpy of 1,2:4,5-dibenzopyrene...... 1959 204. Fusion enthalpy of benzo(cid:3)ghi(cid:4)perylene........ 1948 234. Sublimation enthalpy of 1,2:4,5-dibenzopyrene.. 1959 205. Vaporization enthalpy of benzo(cid:3)ghi(cid:4)perylene... 1949 235. Asummary of experimental and estimated 206. Sublimation enthalpy of benzo(cid:3)ghi(cid:4)perylene.... 1949 phase change enthalpies for 207. Asummary of experimental and estimated 1,2:4,5-dibenzopyrene...................... 1960 phase change enthalpies for 236. Sublimation enthalpy of benzo(cid:3)ghi(cid:4)perylene........................ 1949 dibenzo(cid:3)b,def(cid:4)chrysene.................... 1960 208. Standard enthalpies of combustion and 237. Asummary of experimental and estimated formation of 1,2:3,4-dibenzanthracene at T phase change enthalpies for =298.15 K............................... 1950 dibenzo(cid:3)b,def(cid:4)chrysene.................... 1961 209. Fusion enthalpy of 1,2:3,4-dibenzanthracene.... 1950 238. Fusion enthalpy of benzo(cid:3)rst(cid:4)pentaphene...... 1961 210. Vaporization enthalpy of 239. Asummary of experimental and estimated 1,2:3,4-dibenzanthracene.................... 1950 phase change enthalpies for 211. Sublimation enthalpy of dibenzo(cid:3)rst(cid:4)pentaphene..................... 1962 1,2:3,4-dibenzanthracene.................... 1951 240. Sublimation enthalpy of 212. Asummary of experimental and estimated dibenzo(cid:3)fg,op(cid:4)naphthacene................. 1962 phase change enthalpies for 241. Asummary of experimental and estimated 1,2:3,4-dibenzanthracene.................... 1951 phase change enthalpies for 213. Asummary of available enthalpies of dibenzo(cid:3)fg,op(cid:4)naphthacene................. 1963 sublimation and formation in the condensed 242. Standard enthalpies of combustion and and gas phases of benzo(cid:3)b(cid:4)triphenylene....... 1951 formation of 1,3,5-triphenylbenzene at 214. Standard enthalpies of combustion and T=298.15 K.............................. 1963 formation of 1,2:5,6-dibenzanthracene at T 243. Fusion enthalpy of 1,3,5-triphenylbenzene..... 1963 =298.15 K............................... 1952 244. Vaporization enthalpy of 215. Fusion enthalpy of 1,2:5,6-dibenzanthracene.... 1952 1,3,5-triphenylbenzene..................... 1964 216. Vaporization enthalpy of 245. Sublimation enthalpy of 1,3,5-triphenylbenzene.. 1964 1,2:5,6-dibenzanthracene.................... 1952 246. Asummary of experimental and estimated 217. Sublimation enthalpy of phase change enthalpies for J.Phys.Chem.Ref.Data,Vol.37,No.4,2008 THERMOCHEMISTRY OF POLYCYCLICAROMATIC HYDROCARBONS 1863 1,3,5-triphenylbenzene..................... 1965 meso-naphthodianthrene.................... 1973 247. Asummary of suggested enthalpies of 273. Asummary of experimental and estimated sublimation and formation in the condensed phase change enthalpies for and gas phases of 1,3,5-triphenylbenzene...... 1965 meso-naphthodianthrene.................... 1974 248. Standard enthalpies of combustion and 274. Standard enthalpies of combustion and formation of p-quaterphenyl at T=298.15 K.... 1965 formation of 9,9(cid:1)-bianthracene at T=298.15 K.. 1974 249. Fusion enthalpy of p-quaterphenyl............ 1966 275. Sublimation enthalpy of 9,9(cid:1)-bianthracene..... 1975 250. Vaporization enthalpy of p-quaterphenyl....... 1966 276. Asummary of experimental and estimated 251. Asummary of experimental and estimated phase change enthalpies for 9,9(cid:1)-bianthracene.. 1975 phase change enthalpies for p-quaterphenyl.... 1966 277. Asummary of available enthalpy of 252. Asummary of enthalpies of sublimation and sublimation and formation in the gas phase of formation in the condensed and gas phases of 9,9(cid:1)-bianthracene......................... 1975 p-quaterphenyl............................ 1967 278. Standard enthalpies of combustion and 253. Standard enthalpies of combustion and formation of 9,9(cid:1)-biphenanthrene at formation of tetraphenylmethane at T=298.15 K.............................. 1975 T=298.15 K.............................. 1967 279. Sublimation enthalpy of 9,9(cid:1)-biphenanthrene... 1976 254. Fusion enthalpy of tetraphenylmethane........ 1967 280. Asummary of estimated phase change 255. Sublimation enthalpy of tetraphenylmethane.... 1968 enthalpies for 9,9(cid:1)-biphenanthrene........... 1976 256. Asummary of experimental and estimated 281. Asummary of estimated enthalpy of phase change enthalpies for sublimation and formation in the gas phase of tetraphenylmethane........................ 1968 9,9(cid:1)-biphenanthrene....................... 1976 257. Asummary of available enthalpies of 282. Sublimation enthalpy of pyranthrene.......... 1977 sublimation and formation in the condensed 283. Asummary of experimental and estimated and gas phases of tetraphenylmethane......... 1968 phase change enthalpies for pyranthrene....... 1977 258. Standard enthalpies of combustion and 284. Fusion enthalpy of p-quinquephenyl.......... 1977 formation of tetrabenzonaphthalene at 285. Asummary of experimental and estimated T=298.15 K.............................. 1969 phase change enthalpies for p-quinquephenyl... 1978 259. Sublimation enthalpy of tetrabenzonaphthalene.. 1969 286. Fusion enthalpy of ovalene.................. 1978 260. Asummary of experimental and estimated 287. Sublimation enthalpy of ovalene............. 1979 phase change enthalpies for 288. Asummary of experimental and estimated tetrabenzonaphthalene...................... 1969 phase change enthalpies for ovalene.......... 1979 261. Asummary of available enthalpies of 289. Sublimation enthalpy of violanthreneA....... 1980 sublimation and formation in the condensed 290. Asummary of experimental and estimated and gas phases of tetrabenzonaphthalene....... 1969 phase change enthalpies for violanthreneA.... 1980 262. Standard enthalpies of combustion and 291. Sublimation enthalpy of violanthrene B....... 1981 formation of 9,10-diphenylanthracene at T 292. Asummary of experimental and estimated =298.15 K............................... 1970 phase change enthalpies for violanthrene B.... 1981 263. Vaporization enthalpy of 293. Sublimation enthalpy of isoviolanthreneA..... 1982 9,10-diphenylanthracene.................... 1970 294. Asummary of experimental and estimated 264. Sublimation enthalpy of phase change enthalpies for isoviolanthreneA.. 1982 9,10-diphenylanthracene.................... 1970 295. Sublimation enthalpy of isoviolanthrene B..... 1982 265. Asummary of experimental and estimated 296. Asummary of experimental and estimated phase change enthalpies for phase change enthalpies for isoviolanthrene B.. 1983 9,10-diphenylanthracene.................... 1971 297. Sublimation enthalpy of 266. Asummary of available enthalpies of tetrabenzo(cid:3)de,hi,op,st(cid:4)pentacene............ 1983 sublimation and formation in the condensed 298. Asummary of experimental and estimated and gas phases of 9,10-diphenylanthracene..... 1971 phase change enthalpies for 267. Standard enthalpies of combustion and tetrabenzo(cid:3)de,hi,op,st(cid:4)pentacene............ 1984 formation of 9,9(cid:1)-bifluorenyl at T=298.15 K... 1972 299. Standard enthalpies of combustion and 268. Fusion enthalpy of 9,9(cid:1)-bifluorenyl........... 1972 formation of 5,6,11,12-tetraphenyltetracene at 269. Sublimation enthalpy of 9,9(cid:1)-bifluorenyl...... 1972 T=298.15 K.............................. 1984 270. Asummary of experimental and estimated 300. Sublimation enthalpy of phase change enthalpies for 9,9(cid:1)-bifluorenyl... 1973 5,6,11,12-tetraphenyltetracene............... 1985 271. Asummary of available enthalpies of 301. Asummary of experimental and estimated sublimation and formation in the condensed phase change enthalpies for and gas phases of 9,9(cid:1)-bifluorenyl........... 1973 5,6,11,12-tetraphenyltetracene............... 1985 272. Sublimation enthalpy of 302. Asummary of available enthalpy of J.Phys.Chem.Ref.Data,Vol.37,No.4,2008 1864 ROUX ET AL. sublimation and formation in the gas phase of substances. In fact, many PAHs are among the well known 5,6,11,12-tetraphenyltetracene............... 1985 carcinogenic or mutagenic products (cid:3)2005LUC(cid:4). 303. Summary of the phase change enthalpies of The prediction of the behavior and reaction kinetics of the PAHs................................. 1986 PAHsrequiresanaccuratedescriptionoftheirthermochemi- 304. ASummary of the enthalpies of sublimation cal properties. In addition, thermochemical values, such as and formation of PAHs..................... 1989 their enthalpies of formation, are useful in predicting the 305. Acronyms used in the tables................ 1990 likelihoodoftheirformation.Thesepropertiesarealsouseful 306. Groups used for liquid (cid:3)(cid:1)(cid:1)1(cid:2)(cid:4) and solid (cid:3)(cid:1)(cid:1)c(cid:2)(cid:4) in designing processes to generate other useful substances heat capacity estimations from (cid:3)1993CHI/HES(cid:4).. 1990 such as the fullerenes (cid:3)2006WID/MCC, 1999RIC/GRI(cid:4) 307. Groups values used for estimating total phase which retain some known PAH substructure (cid:3)1996TAY, change entropies for PAHs.................. 1991 1993KRO/WAL, 1993KRO/FIS, 1993BIL/CIU(cid:4) and other 308. Contributions of the cyclic hydrocarbon carbon nanostructures (cid:3)2006OKI/OTA, 1996DRE/DRE(cid:4). portions of the molecule from Available experimental thermochemical data on PAHs are (cid:3)2003CHI/ACR2(cid:4).......................... 1991 scarce mainly due to the difficulty in their synthesis and purification. Moreover, the reliability of the existing results varies because of the different experimental techniques used List of Figures and the large time frame, 1878–present, in which they have 1. Acomparison of experimental sublimation been studied.As their molar masses increase, the number of enthalpies measured directly with those isomeric PAHs likewise increases significantly. Large mo- obtained from experimental vaporization and lecular mass PAHs have high melting points and low vapor fusion enthalpies........................... 1988 pressures; in addition they become less soluble in organic 2. Acomparison of experimental sublimation solvents. Thus, it is often not easy to separate isomers and enthalpies with those estimated. The line samples are often contaminated by the presence of certain represents a comparison of experimental and other isomers. The sublimation enthalpy of larger PAHs is estimated values up to 160 kJmol−1........... 1988 difficultbecauseoftheirlowvaporpressuresandincombus- tion calorimetry, they often result in soot formation. Incom- plete combustion can be a significant source of error. 1. Introduction In this regard, estimation methods, ab initio quantum mechanical methods, and more recently, density functional Enthalpies of formation are crucial thermodynamic quan- theory (cid:1)DFT(cid:2) calculations have been used as an independent tities. They are needed to evaluate the amount of energy confirmation of the accuracy of the experimental measure- released or absorbed in a chemical reaction and to calculate ments and often because of lack of available experimental other thermodynamic functions, such as Gibbs energies and data. equilibrium constants, and more importantly, they permit a Stein et al. (cid:3)1985STE/FAH, 1977STE/GOL(cid:4) have pro- quantitative assessment of the relative stability of a mol- posed an estimation method for the thermochemical proper- ecule. Polycyclic aromatic compounds, both hydrocarbons tiesofPAHs,whichextendstheadditivityprocedureofBen- and heterocycles, are very important ones and have attracted son et al. (cid:3)1976BEN, 1969BEN/CRU, 1958BEN/BUS(cid:4). great attention. These materials play an important role in Several methods have been reported to solve one specific interstellar chemistry (cid:3)1996COO/SCH, 1995SNO/WIT, weakness of the original method proposed by Stein et al. 1987LEG/DHE(cid:4), geochemistry, especially in relation to the (cid:3)1995POP/HOW, 1993ARM/BIR, 1992HER/NOW, origin of petroleum (cid:3)1999GOL(cid:4), and environmental chemis- 1990MOI/DOR, 1989MOI/DOR(cid:4). Moiseeva et al. intro- try(cid:3)1997HAR(cid:4).Theyareproducedmainlybytheincomplete duced some changes (cid:3)1989MOI/DOR(cid:4) and their group addi- combustion or pyrolysis of organic materials, hydrocarbon tivity method was later extended for benzenoid PAHs by fuels, and coal conversion processes and are precursors of introducing three new groups for the carbons in five mem- soot. They are formed throughout the environment as by- beredrings(cid:3)1990MOI/DOR(cid:4).Anewbond-additivitymethod productsofcombustionanddegradationoforganicmaterials to estimate the heat of formation of benzenoid PAHs has inindustrialprocesses.Factorssuchasthetypeandquantity been proposed by Herndon et al. (cid:3)1992HER/NOW(cid:4) with ad- of fuel consumed, temperature, time of combustion, and ditional parameters that take into account the nonplanarity availability of oxygen determine the nature and degree of effectsthatincreasewiththenumberofringsinthesamebay formation of these materials. Polycyclic aromatic hydrocar- region, introducing groups for bay regions with five- and bons (cid:1)PAHs(cid:2) have relatively low vapor pressure and resis- six-membered rings. Pope and Howard (cid:3)1995POP/HOW(cid:4) tancetochemicalreactions.Asaresult,theyarepersistentin and Armitage and Bird (cid:3)1993ARM/BIR(cid:4) have introduced a theenvironmentandshowatendencytoaccumulateinliving new parameter for a group that belongs to a five-membered beings,soils,andsedimentsandarealsohighlydispersedby ring. the atmosphere (cid:3)1997HAR(cid:4). However, control of their emis- With the advancement of computational capabilities, cal- sions is an important matter because of the potential adverse culationsbeyondgroupadditivitymethods,suchasquantum health effects on humans associated with exposure to these mechanical calculations on larger molecules, have become J.Phys.Chem.Ref.Data,Vol.37,No.4,2008

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Experimental thermochemical properties of benzene, toluene, and 63 polycyclic aromatic hydrocarbons Enthalpy of formation (liquid) 1870. 7.1.2.

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Experimental thermochemical properties of benzene, toluene, and 63 polycyclic aromatic hydrocarbons Enthalpy of formation (liquid) 1870. 7.1.2.

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