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Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid110.1 ± 2.2kJ/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Deltafsolid109.8 ± 1.6kJ/molCcbSteele, Chirico, et al., 1990«DELTA» Hfusion = 15.96±0.05 kJ/mol; ALS
Deltafsolid116.1 ± 1.4kJ/molCcbColeman and Pilcher, 1966Author was aware that data differs from previously reported values; ALS
Deltafsolid113.kJ/molCcbBender and Farber, 1952ALS
Deltafsolid72.8 ± 2.6kJ/molCcbRichardson and Parks, 1939High level of uncertainty in the data; Reanalyzed by Cox and Pilcher, 1970, Original value = 70.88 kJ/mol; see Richardson, 1939; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-7040. ± 30.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
solid,1 bar215.06J/mol*KN/AFinke, Messerly, et al., 1977DH
solid,1 bar211.7J/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 65.19 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
220.3298.15Steele, Chirico, et al., 1990DH
220.62298.15Finke, Messerly, et al., 1977T = 10 to 440 K.; DH
267.4343.Rastogi and Bassi, 1964T = 343, 404 K.; DH
134.7298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
207.1298.1Eibert, 1944T = 20 to 200°C, equations only, in t°C. Cp(c) = 0.2003 + 0.00306t cal/g*K (20 to 98°C); Cp(liq) = 0.292 + 0.000923t cal/g*K (98 to 200°C).; DH
226.4298.1Schmidt, 1941T = 20 to 200°C, equations only, in t°C. Cp(c) = 0.2440 + 0.002604t - 0.000011t2 cal/g*K (20 to 98°C); Cp(liq) = 0.3328 + 0.0006760t cal/g*K (98 to 200°C).; DH
233.5297.5Huffman, Parks, et al., 1931T = 93 to 304 K. Value is unsmoothed experimental datum.; DH


Go To: Top, Condensed phase thermochemistry data, Notes

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

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Steele, Chirico, et al., 1990
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K., Determination of ideal-gas enthalpies of formation for key compounds, Am. Inst. Chem. Eng. Symp. Ser. (AIChE Symp. Ser.), 1990, 138-154. [all data]

Coleman and Pilcher, 1966
Coleman, D.J.; Pilcher, G., Heats of combustion of biphenyl, bibenzyl, naphthalene, anthracene, and phenanthrene, Trans. Faraday Soc., 1966, 62, 821-827. [all data]

Bender and Farber, 1952
Bender, P.; Farber, J., The heats of combustion of anthracene transannular peroxide and dianthracene, J. Am. Chem. Soc., 1952, 74, 1450-1452. [all data]

Richardson and Parks, 1939
Richardson, J.W.; Parks, G.S., Thermal data on organic compounds. XIX. Modern combustion data for some non-volatile compounds containing carbon, hydrogen and oxygen, J. Am. Chem. Soc., 1939, 61, 3543-3546. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Richardson, 1939
Richardson, J.W., Precise determination of the heats of combustion of some representative organic compounds, Ph.D. Thesis for Standford University, 1939, 1-122. [all data]

Finke, Messerly, et al., 1977
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937-956. [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]

Rastogi and Bassi, 1964
Rastogi, R.P.; Bassi, P.S., Mechanism of eutectic crystallization, J. Phys. Chem., 1964, 68, 2398-2406. [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]

Eibert, 1944
Eibert, J., Thesis Washington University (St. Louis), 1944. [all data]

Schmidt, 1941
Schmidt, W.R., Thesis Washington University (St. Louis), 1941. [all data]


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