Diphenyl carbonate

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-311. ± 8.8kJ/molCcbCarson, Fine, et al., 1971Hfusion=5.6±0.3

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:
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
Δfsolid-401.4 ± 1.9kJ/molCcbSinke, Hildenbrand, et al., 1958ALS
Quantity Value Units Method Reference Comment
Δcsolid-6143.6 ± 1.9kJ/molCcbSinke, Hildenbrand, et al., 1958Corresponding Δfsolid = -401.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar278.40J/mol*KN/ASinke, Hildenbrand, et al., 1958DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
263.13298.15Sinke, Hildenbrand, et al., 1958T = 15 to 310 K.; DH

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil574.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil579.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δvap80.9 ± 0.6kJ/molGSVerevkin, Emel'yanenko, et al., 2008Based on data from 355. to 381. K.; AC
Quantity Value Units Method Reference Comment
Δsub90. ± 8.4kJ/molECarson, Fine, et al., 1971, 2See also Pedley and Rylance, 1977.; AC
Δsub90.0 ± 8.4kJ/molVCarson, Fine, et al., 1971Hfusion=5.6±0.3; ALS

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
23.43355.Carson, Fine, et al., 1971, 2AC

References

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

Carson, Fine, et al., 1971
Carson, A.S.; Fine, D.H.; Gray, P.; Laye, P.G., Standard enthalpies of formation of diphenyl oxalate and benzoic anhydride and some related bond dissociation energies, J. Chem. Soc. B, 1971, 1611-1615. [all data]

Sinke, Hildenbrand, et al., 1958
Sinke, G.C.; Hildenbrand, D.L.; McDonald, R.A.; Kramer, W.R.; Stull, D.R., The heat, entropy and free energy of formation of diphenyl carbonate, J. Phys. Chem., 1958, 62, 1461-1462. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Verevkin, Emel'yanenko, et al., 2008
Verevkin, Sergey P.; Emel'yanenko, Vladimir N.; Kozlova, Svetlana A., Organic Carbonates: Experiment and ab Initio Calculations for Prediction of Thermochemical Properties, J. Phys. Chem. A, 2008, 112, 42, 10667-10673, https://doi.org/10.1021/jp8024705 . [all data]

Carson, Fine, et al., 1971, 2
Carson, A.S.; Fine, D.H.; Gray, P.; Laye, P.G., Standard enthalpies of formation of diphenyl oxalate and benzoic anhydride and some related bond dissociation energies, J. Chem. Soc., B:, 1971, 1611, https://doi.org/10.1039/j29710001611 . [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]


Notes

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