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p-Benzoquinone

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Gas phase thermochemistry data

Go To: Top, 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 as indicated in comments:
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
Deltacgas-2810. ± 4.kJ/molCcbWassermann, 1935Corresponding «DELTA»fgas = -120. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
37.6650.Becker E.D., 1965GT
47.65100.
61.20150.
76.51200.
99.66273.15
107.39298.15
107.95300.
136.31400.
159.73500.
178.51600.
193.57700.
205.80800.
215.86900.
224.221000.
231.231100.
237.151200.
242.191300.
246.491400.
250.181500.

Condensed phase thermochemistry data

Go To: Top, Gas 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 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-186.8 ± 0.71kJ/molCcbPilcher and Sutton, 1956ALS
Deltafsolid-184.5 ± 0.63kJ/molCcbParks, Manchester, et al., 1954ALS
Deltafsolid-184.5kJ/molCcbSchreiner, 1925ALS
Quantity Value Units Method Reference Comment
Deltacsolid-2725.80kJ/molCcbMagnus, 1956Corresponding «DELTA»fsolid = -206.92 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-2745.9 ± 0.42kJ/molCcbPilcher and Sutton, 1956Corresponding «DELTA»fsolid = -186.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-2748.2kJ/molCcbParks, Manchester, et al., 1954Corresponding «DELTA»fsolid = -184.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-2748.3kJ/molCcbSchreiner, 1925Corresponding «DELTA»fsolid = -184.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-2753.kJ/molCcbSwietoslawski and Starczedska, 1925Corresponding «DELTA»fsolid = -179. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
126.4298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
132.2298.Andrews, Lynn, et al., 1926T = 22 to 160°C.; DH
129.7291.2Lange, 1924T = 22 to 291 K. Value is unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
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
Tfus386.0KN/AAndrews, Lynn, et al., 1926, 2Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltasub66.7 ± 1.6kJ/molDSCRojas-Aguilar, Flores-Lara, et al., 2004AC
Deltasub62.8kJ/molCMagnus, 1956ALS
Deltasub62.760kJ/molVCoolidge and Coolidge, 1927ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
47.8395.AStephenson and Malanowski, 1987Based on data from 388. - 402. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
68.0 ± 0.5262.ME,TEde Kruif, 1981AC
62.8269.QFCoolidge and Coolidge, 1927Based on data from 260. - 278. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
18.4 ± 0.1385.1DSCRojas-Aguilar, Flores-Lara, et al., 2004AC
18.4 ± 0.3385.7HFCRojas-Aguilar, Flores-Lara, et al., 2004AC
18.45388.N/AAcree, 1991AC
18.450386.0N/AAndrews, Lynn, et al., 1926DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
47.8386.0Andrews, Lynn, et al., 1926DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Download spectrum in JCAMP-DX format.

Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1277
NIST MS number 227766

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Wassermann, 1935
Wassermann, A., The mechanism of additions to double bonds. Part I. Thermochemistry and kinetics of a diene synthesis, J. Chem. Soc., 1935, 828-838. [all data]

Becker E.D., 1965
Becker E.D., Molecular vibrations of quinones. VI. A vibrational assignment for p-benzoquinone and six isotopic derivatives. Thermodynamic functions of p-benzoquinone, J. Chem. Phys., 1965, 42, 942-949. [all data]

Pilcher and Sutton, 1956
Pilcher, G.; Sutton, L.E., The heats of combustion of quinol and p-benzoquinone and the thermodynamic quantities of the oxidation-reduction reaction, J. Chem. Soc., 1956, 2695-2700. [all data]

Parks, Manchester, et al., 1954
Parks, G.S.; Manchester, K.E.; Vaughan, L.M., Heats of combustion and formation of some alcohols, phenols, and ketones, J. Chem. Phys., 1954, 22, 2089-2090. [all data]

Schreiner, 1925
Schreiner, E., Thermodynamics of the quinhydrone electrode and the chemical constant of hydrogen, Z. Phys. Chem., 1925, 117, 57-87. [all data]

Magnus, 1956
Magnus, A., Die resonanzenergien der parachinone Aui grund der prazisionsmessungsen ihrer verbrennungswarmen durch herrn gerhard wittwer, Z. Phys. Chem. (Neue Folge), 1956, 9, 141-161. [all data]

Swietoslawski and Starczedska, 1925
Swietoslawski, W.; Starczedska, H., Correction des donnees thermochimiques de M.A. Valeur, J. Chem. Phys., 1925, 22, 399-401. [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]

Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J., The heat capacities and heat of crystallization of some isomeric aromatic compounds, J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]

Lange, 1924
Lange, F., Untersuchungen über die spezifische Wärme bei tiefen Temperaturen, Z. Phys. Chem., 1924, 110, 343-362. [all data]

Andrews, Lynn, et al., 1926, 2
Andrews, D.H.; Lynn, G.; Johnston, J., The Heat Capacities and Heat of Crystallization of Some Isomeric Aromatic Compounds, J. Am. Chem. Soc., 1926, 48, 1274. [all data]

Rojas-Aguilar, Flores-Lara, et al., 2004
Rojas-Aguilar, Aarón; Flores-Lara, Honorio; Martinez-Herrera, Melchor; Ginez-Carbajal, Francisco, Thermochemistry of benzoquinones, The Journal of Chemical Thermodynamics, 2004, 36, 6, 453-463, https://doi.org/10.1016/j.jct.2004.03.002 . [all data]

Coolidge and Coolidge, 1927
Coolidge, A.S.; Coolidge, M.S., The sublimation pressures of substituted quinones and hydroquinones, J. Am. Chem. Soc., 1927, 49, 100-104. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

de Kruif, 1981
de Kruif, C.G., Thermodynamic properties of 1,4-benzoquinone (BQ), 1,4-hydroquinone (HQ), 1,4-naphthoquinone (NQ), 1,4-naphthohydroquinone (NHQ), and the complexes BQ--HQ 1:1, NQ--HQ 1:1, NQ--NHQ 2:1, and NQ--NHQ 1:1, J. Chem. Phys., 1981, 74, 10, 5838, https://doi.org/10.1063/1.440898 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]


Notes

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