P-Benzoquinone - The NIST WebBook

p-Benzoquinone

• Formula: C6H4O2
• Molecular weight: 108.0948
• IUPAC Standard InChI: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H Copy
• IUPAC Standard InChIKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N Copy
• CAS Registry Number: 106-51-4
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file View 3d structure (requires JavaScript / HTML 5)
• Other names: 2,5-Cyclohexadiene-1,4-dione; p-Quinone; Chinone; Quinone; 1,4-Benzoquinone; 1,4-Cyclohexadienedione; Benzoquinone; Benzo-chinon; Chinon; Cyclohexadienedione; NCI-C55845; 1,4-Benzoquine; 1,4-Cyclohexadiene dioxide; 1,4-Diossibenzene; 1,4-Dioxy-benzol; p-Chinon; Rcra waste number U197; UN 2587; USAF P-220; Steara PBQ; NSC 36324
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• Information on this page:
  • Condensed phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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: 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
ΔfH°solid	-186.8 ± 0.71	kJ/mol	Ccb	Pilcher and Sutton, 1956	ALS
ΔfH°solid	-184.5 ± 0.63	kJ/mol	Ccb	Parks, Manchester, et al., 1954	ALS
ΔfH°solid	-184.5	kJ/mol	Ccb	Schreiner, 1925	ALS
Quantity	Value	Units	Method	Reference	Comment
ΔcH°solid	-2725.80	kJ/mol	Ccb	Magnus, 1956	Corresponding ΔfHºsolid = -206.92 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°solid	-2745.9 ± 0.42	kJ/mol	Ccb	Pilcher and Sutton, 1956	Corresponding ΔfHºsolid = -186.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°solid	-2748.2	kJ/mol	Ccb	Parks, Manchester, et al., 1954	Corresponding ΔfHºsolid = -184.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°solid	-2748.3	kJ/mol	Ccb	Schreiner, 1925	Corresponding ΔfHºsolid = -184.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°solid	-2753.	kJ/mol	Ccb	Swietoslawski and Starczedska, 1925	Corresponding ΔfHºsolid = -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
126.4	298.15	Ueberreiter and Orthmann, 1950	T = 293 to 368 K. Equation only.; DH
132.2	298.	Andrews, Lynn, et al., 1926	T = 22 to 160°C.; DH
129.7	291.2	Lange, 1924	T = 22 to 291 K. Value is unsmoothed experimental datum.; DH

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.

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]

Notes

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• Symbols used in this document:

  Cp,solid	Constant pressure heat capacity of solid
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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