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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
Deltafgas-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
Deltafsolid-401.4 ± 1.9kJ/molCcbSinke, Hildenbrand, et al., 1958ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6143.6 ± 1.9kJ/molCcbSinke, Hildenbrand, et al., 1958Corresponding «DELTA»fsolid = -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
Deltavap80.9 ± 0.6kJ/molGSVerevkin, Emel'yanenko, et al., 2008Based on data from 355. - 381. K.; AC
Quantity Value Units Method Reference Comment
Deltasub90. ± 8.4kJ/molECarson, Fine, et al., 1971, 2See also Pedley and Rylance, 1977.; AC
Deltasub90.0 ± 8.4kJ/molVCarson, Fine, et al., 1971Hfusion=5.6±0.3; ALS

Enthalpy of fusion

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

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference
9.01 ± 0.05EINatalis and Franklin, 1965

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H5+12.1 ± 0.1?EINatalis and Franklin, 1965 
C11H9+13.90 ± 0.05?EINatalis and Franklin, 1965 
C11H10+12.4 ± 0.1?EINatalis and Franklin, 1965 
C12H9O+12.51 ± 0.05?EINatalis and Franklin, 1965 
C12H10O+10.78 ± 0.05CO2EINatalis and Franklin, 1965 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 22641

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

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]

Natalis and Franklin, 1965
Natalis, P.; Franklin, J.L., Ionization and dissociation of diphenyl and condensed ring aromatics by electron impact. II. Diphenylcarbonyls and ethers, J. Phys. Chem., 1965, 69, 2943. [all data]


Notes

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