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Anthracene

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas223. ± 10.kJ/molAVGN/AAverage of 6 values; Individual data points

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
41.3850.Dorofeeva O.V., 1988S(T) values calculated by [ Kudchadker S.A., 1979] are 3.6-4.1 J/mol*K greater than recommended ones. Cp(T) values from two calculations agree within 0.3 J/mol*K. Recommended values are also reproduced in the reference book [ Frenkel M., 1994].; GT
61.44100.
87.80150.
118.55200.
167.75273.15
184.7 ± 1.0298.15
185.99300.
249.74400.
302.90500.
345.39600.
379.33700.
406.84800.
429.48900.
448.321000.
464.171100.
477.581200.
489.011300.
498.801400.
507.221500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid121. ± 10.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltacsolid-7061. ± 10.kJ/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
solid,1 bar207.15J/mol*KN/AGoursot, Girdhar, et al., 1970DH
solid,1 bar207.15J/mol*KN/AGoursot, Girdhar, et al., 1968DH
solid,1 bar207.5J/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 14.98 cal/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
211.7298.15Radomska and Radomski, 1980T = 180 to 430 K. Data given graphically. Cp calculated from equation.; DH
210.50298.15Goursot, Girdhar, et al., 1970T = 5 to 500 K.; DH
210.50298.15Goursot, Girdhar, et al., 1968T = 5 to 520 K. Only 6 points given; summary article.; DH
217.5298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
207.1297.2Huffman, Parks, et al., 1931T = 94 to 297 K. Value is unsmoothed experimental datum.; DH
221.8298.15Hildebrand, Duschak, et al., 1917T = 293 to 593 K. From heat content data.; DH

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C14H11+ + Anthracene = (C14H11+ bullet Anthracene)

By formula: C14H11+ + C14H10 = (C14H11+ bullet C14H10)

Quantity Value Units Method Reference Comment
Deltar66.9kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
26.352.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Anthracene photodimer = 2Anthracene

By formula: C28H20 = 2C14H10

Quantity Value Units Method Reference Comment
Deltar-67.0kJ/molCmBendig, Buchwitz, et al., 1981liquid phase; solvent: Cyclohexane; Dimerization, see Bendig and Kreysig, 1981; ALS
Deltar28.9 ± 6.1kJ/molCmDonati, Guarini, et al., 1981solid phase; ALS

C14H10+ + Anthracene = (C14H10+ bullet Anthracene)

By formula: C14H10+ + C14H10 = (C14H10+ bullet C14H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar68.6kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), 1980gas phase; M

Maleic anhydride + Anthracene = Anthracene-maleic anhydride Diels-Alder adduct

By formula: C4H2O3 + C14H10 = C18H12O3

Quantity Value Units Method Reference Comment
Deltar-93. ± 2.kJ/molCmKiselev, Mavrin, et al., 1982liquid phase; solvent: Benzene; ALS
Deltar-93.7kJ/molEqkLenz, Hegedus, et al., 1982liquid phase; solvent: 1,2,4-C6H3Cl3; ALS

1,4-Dewar anthracene = Anthracene

By formula: C14H10 = C14H10

Quantity Value Units Method Reference Comment
Deltar-324. ± 1.kJ/molEqkDreeskamp, Kapahnke, et al., 1988liquid phase; solvent: Heptane; Isomerization; ALS

Anthracene + 2,5-Furnadione, 3-(1-methylethyl)- = C21H18O3

By formula: C14H10 + C7H8O3 = C21H18O3

Quantity Value Units Method Reference Comment
Deltar-87.5kJ/molEqkLenz, Hegedus, et al., 1982liquid phase; solvent: 1,2,4-C6H3Cl3; ALS

9,10-Dihydro-9,10-ethanoanthracene-11,11,12,12-tetracarbonitrile = Anthracene + Tetracyanoethylene

By formula: C20H10N4 = C14H10 + C6N4

Quantity Value Units Method Reference Comment
Deltar40.5 ± 2.1kJ/molCmRogers, 1972solid phase; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Dorofeeva O.V., 1988
Dorofeeva O.V., Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]

Kudchadker S.A., 1979
Kudchadker S.A., Chemical thermodynamic properties of anthracene and phenathrene, J. Chem. Thermodyn., 1979, 11, 1051-1059. [all data]

Frenkel M., 1994
Frenkel M., Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]

Goursot, Girdhar, et al., 1970
Goursot, P.; Girdhar, H.L.; Westrum, E.F., Jr., Thermodynamics of polynuclear aromatic molecules. III. Heat capacities and enthalpies of fusion of anthracene, J. Phys. Chem., 1970, 74, 2538-2541. [all data]

Goursot, Girdhar, et al., 1968
Goursot, P.; Girdhar, H.L.; Westrum, E.F., Jr., Mesure de la capacite calorifique de l'anthracene de 5 a 520K, Compt. rend., 1968, C266, 949-950. [all data]

Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M., Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons, J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]

Radomska and Radomski, 1980
Radomska, M.; Radomski, R., Calorimetric studies of binary systems of 1,3,5-trinitrobenzene with naphthalene, anthracene, and carbazole. I. Phase transitions and heat capacities of the pure components and charge-transfer complexes, Thermochim. Acta, 1980, 40, 405-414. [all data]

Ueberreiter and Orthmann, 1950
Ueberreiter, K.; Orthmann, H.-J., Specifische Wärme, spezifisches Volumen, Temperatur- und Wärme-leittähigkeit einiger disubstituierter Benzole und polycyclischer Systeme, Z. Natursforsch. 5a, 1950, 101-108. [all data]

Hildebrand, Duschak, et al., 1917
Hildebrand, J.H.; Duschak, A.D.; Foster, A.H., and Beebe, C.W. The specific heats and heats of fusion of triphenylmethane, anthraquinone and anthracene, J. Am. Chem. Soc., 1917, 39, 2293-2297. [all data]

Meot-Ner (Mautner), 1980
Meot-Ner (Mautner), M., Dimer Cations of Polycyclic Aromatics: Experimental Bonding Energies and Resonance Stabilization, J. Phys. Chem., 1980, 84, 21, 2724, https://doi.org/10.1021/j100458a012 . [all data]

Bendig, Buchwitz, et al., 1981
Bendig, J.; Buchwitz, W.; Fischer, J.; Kreysig, D., Deactivation behavior of arenes and heteroarenes. XXXII. Effect of endo- and exocyclic substitution on the reversible dimerization behavior of anthracenes, J. Prakt. Chem., 1981, 323, 485-498. [all data]

Bendig and Kreysig, 1981
Bendig, J.; Kreysig, D., Deactivation behavior of arenes and heteroarenes. XXXI. A model of the reversible photodimerization of anthracene and 9-methylanthracene, J. Prakt. Chem., 1981, 323, 471-484. [all data]

Donati, Guarini, et al., 1981
Donati, D.; Guarini, G.G.T.; Sarti-Fantoni, P., Evaluation of the enthalpic change during the monomerization reaction of crystalline anthracene photodimer (AD), Mol. Cryst. Liq. Cryst., 1981, 69, 241-243. [all data]

Kiselev, Mavrin, et al., 1982
Kiselev, V.D.; Mavrin, G.V.; Konovalov, A.I., Thermodynamic principles of the occurrence of a Diels-Alder reaction in the presence of a Lewis acid, Zh. Org. Khim., 1982, 18, 2505-2510. [all data]

Lenz, Hegedus, et al., 1982
Lenz, T.G.; Hegedus, L.S.; Vaughan, J.D., Liquid phase thermochemical energy conversion systems - an application of Diels-Alder chemistry, Int. J. Energy Res., 1982, 6, 357-365. [all data]

Dreeskamp, Kapahnke, et al., 1988
Dreeskamp, H.; Kapahnke, P.; Tochtermann, W., Photo valence isomerization of sterically strained aromatic hydrocarbons: 8,9-dicarbethoxy[6]paracyclophane, Radiat. Phys. Chem., 1988, 32, 537-539. [all data]

Rogers, 1972
Rogers, F.E., Thermochemistry of the Diels-Alder reactions. II. Heat of addition of several dienes to tetracyanoethylene, J. Phys. Chem., 1972, 76, 106-109. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References