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Diphenylmethane

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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
Deltafgas165. ± 2.2kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafgas162.3 ± 2.3kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafgas164.8 ± 1.6kJ/molCcbSteele, Chirico, et al., 1995ALS
Deltafgas156.6kJ/molN/AParks and Mosley, 1950Value computed using «DELTA»fHliquid° value of 88.9 kj/mol from Parks and Mosley, 1950 and «DELTA»vapH° value of 67.7 kj/mol from Steele, Chirico, et al., 1995.; DRB
Quantity Value Units Method Reference Comment
gas436.J/mol*KN/AMarcus Y., 1986This value calculated from published spectroscopic and structural data is in close agreement with estimations by a method of increments (440-451 J/mol*K [85MAR/LOE, Dorofeeva O.V., 1997]). Value obtained from calorimetric data (508.5 J/mol*K [85MAR/LOE]) authors do not regard as reliable. Results of statistical thermodynamics calculation [ Puranik P.G., 1962] are likely to be erroneous (S(300 K)=319 J/mol*K).; GT

Condensed phase thermochemistry data

Go To: Top, Gas phase 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
Deltafliquid97.1 ± 2.2kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafliquid97.1 ± 1.4kJ/molCcbSteele, Chirico, et al., 1995ALS
Deltafliquid88.91kJ/molCcbParks and Mosley, 1950see Parks, West, et al., 1946; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-6927.2 ± 1.4kJ/molCcbSteele, Chirico, et al., 1995Corresponding «DELTA»fliquid = 96.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-6919.6 ± 1.3kJ/molCcbParks and Mosley, 1950see Parks, West, et al., 1946; Corresponding «DELTA»fliquid = 89.04 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
Deltafsolid75.1 ± 2.2kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafsolid114.kJ/molCcbSchmidlin, 1906ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6673.kJ/molCcbSerijan and Wise, 1951Corresponding «DELTA»fsolid = -160. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-6931.2kJ/molCcbWise, Serijan, et al., 1951Corresponding «DELTA»fsolid = 100. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-6929.54 ± 0.84kJ/molCcbCoops, Mulder, et al., 1946Reanalyzed by Cox and Pilcher, 1970, Original value = -6927.0 ± 0.8 kJ/mol; Corresponding «DELTA»fsolid = 98.95 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-6945.0kJ/molCcbSchmidlin, 1906Corresponding «DELTA»fsolid = 114. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar239.3J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 77.86 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
266.1303.Duff and Everett, 1956T = 303 to 353 K.; DH
279.9300.Kurbatov, 1950T = 29 to 254°C.; DH
233.5298.5Smith and Andrews, 1931T = 102 to 322 K. Value is unsmoothed experimental datum.; DH
223.8282.5Huffman, Parks, et al., 1930T = 89 to 312 K. Value is unsmoothed experimental datum.; DH

References

Go To: Top, Gas phase thermochemistry data, 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., 1995
Steele, W.V.; Chirico, R.D.; Smith, N.K., The standard enthalpies of formation of 2-methylbiphenyl and diphenylmethane, J. Chem. Thermodyn., 1995, 27, 671-678. [all data]

Parks and Mosley, 1950
Parks, G.S.; Mosley, J.R., Redetermination of the heat of combustion of diphenylmethane, J. Am. Chem. Soc., 1950, 72, 1850. [all data]

Marcus Y., 1986
Marcus Y., Entropies of tetrahedral M-phenyl species, J. Chem. Soc., Faraday Trans. 1, 1986, 82, 993-1006. [all data]

Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]

Puranik P.G., 1962
Puranik P.G., Vibrational spectra, potential constants, and thermodynamic properties of diphenylmethane, Proc. Indian Acad. Sci., 1962, A56, 233-238. [all data]

Parks, West, et al., 1946
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A., Thermal data on organic compounds. XXIII. Modern combustion data for fourteen hydrocarbons and five polyhydroxy alcohols, J. Am. Chem. Soc., 1946, 68, 2524-2527. [all data]

Schmidlin, 1906
Schmidlin, M.J., Recherches chimiques et thermochimiques sur la constitution des rosanilines, Ann. Chim. Phys., 1906, 1, 195-256. [all data]

Serijan and Wise, 1951
Serijan, K.T.; Wise, P.H., Dicyclic hydrocarbons. III. Diphenyl- and dicyclohexylalkanes through C15, J. Am. Chem. Soc., 1951, 73, 4766-4769. [all data]

Wise, Serijan, et al., 1951
Wise, C.H.; Serijan, K.T.; Goodman, I.A., NACA Technical Report 1003, NACA Technical Report 1003, 1951, 1-10. [all data]

Coops, Mulder, et al., 1946
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J., The heats of combustion of a number of hydrocarbons, Rec. Trav. Chim. Pays/Bas, 1946, 65, 128. [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]

Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Daniels, A.C., Thermal data on organic compounds. VII. The heat capacities, entropies and free energies of twelve aromatic hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1547-1558. [all data]

Duff and Everett, 1956
Duff, G.M.; Everett, D.H., The heat capacity of the system benzene + diphenylmethane, Trans. Faraday Soc., 1956, 52, 753-763. [all data]

Kurbatov, 1950
Kurbatov, V.Ya., Specific heats of liquids. III. Specific heat of hydrocarbons with several noncondensed rings, Zhur. Obshch. Khim., 1950, 20, 1139-1144. [all data]

Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H., Thermal energy studies. I. Phenyl derivatives of methane, ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]


Notes

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