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Hydroquinone

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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-66.20 ± 0.33kcal/molCcrSabbah and Buluku, 1991«DELTA»Hfusion =21.09±0.4 kJ/mol; ALS
Deltafgas-65.01kcal/molN/APilcher and Sutton, 1956Value computed using «DELTA»fHsolid° value of -366.1±1.2 kj/mol from Pilcher and Sutton, 1956 and «DELTA»subH° value of 94.1 kj/mol from Sabbah and Buluku, 1991.; DRB
Deltafgas-64.27kcal/molN/AParks, Manchester, et al., 1954Value computed using «DELTA»fHsolid° value of -363.0±1.0 kj/mol from Parks, Manchester, et al., 1954 and «DELTA»subH° value of 94.1 kj/mol from Sabbah and Buluku, 1991.; DRB
Deltafgas-63.79kcal/molN/APushin, 1954Value computed using «DELTA»fHsolid° value of -361.0 kj/mol from Pushin, 1954 and «DELTA»subH° value of 94.1 kj/mol from Sabbah and Buluku, 1991.; DRB
Deltafgas-64.15kcal/molN/ASchreiner, 1925Value computed using «DELTA»fHsolid° value of -362.5 kj/mol from Schreiner, 1925 and «DELTA»subH° value of 94.1 kj/mol from Sabbah and Buluku, 1991.; DRB
Quantity Value Units Method Reference Comment
gas82.0 ± 1.2cal/mol*KN/AKudchadker S.A., 1979GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.25050.Kudchadker S.A., 1979GT
11.40100.
15.89150.
20.59200.
27.342273.15
29.541298.15
29.701300.
37.557400.
43.800500.
48.666600.
52.519700.
55.645800.
58.239900.
60.4281000.
62.2941100.
63.9011200.
65.2891300.
66.4961400.
67.5451500.

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-88.70 ± 0.31kcal/molCcrSabbah and Buluku, 1991«DELTA»Hfusion =21.09±0.4 kJ/mol; ALS
Deltafsolid-87.51 ± 0.28kcal/molCcbPilcher and Sutton, 1956ALS
Deltafsolid-86.75 ± 0.25kcal/molCcbParks, Manchester, et al., 1954ALS
Deltafsolid-86.2kcal/molCcbPushin, 1954Author's hf298_condensed=-87.8 kcal/mol; ALS
Deltafsolid-86.65kcal/molCcbSchreiner, 1925ALS
Quantity Value Units Method Reference Comment
Deltacsolid-682. ± 5.kcal/molAVGN/AAverage of 8 values; Individual data points

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
31.525298.15Bret-Dibat and Lichanot, 1989T = 200 to 500 K. Cp(c) = 125.328 + 0.2791t - 1.0329x10-3t2 + 1.5075x10-5t3 J/mol*K (t/°C). Cp value caluculated from equation.; DH
32.60298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
35.90323.Satoh and Sogabe, 1941T = 0 to 100°C. Mean value.; DH
33.39298.Andrews, Lynn, et al., 1926T = 22 to 200°C.; DH
31.91297.9Andrews, 1926T = 110 to 344 K. Value is unsmoothed experimental datum.; DH
31.19274.3Lange, 1924T = 28 to 275 K. Value is unsmoothed experimental datum.; 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil558.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil558.2KN/AKrupatkin and Rozhentsova, 1971Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus445.0KN/ABret-Dibat and Lichanot, 1989, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.6 K; TRC
Tfus445.KN/ABuckingham and Donaghy, 1982BS
Tfus443.5KN/AKrupatkin and Rozhentsova, 1971Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple445.98KN/ASabbah and Buluku, 1991, 2Uncertainty assigned by TRC = 0.03 K; TRC
Ttriple445.5KN/AAndrews, Lynn, et al., 1926, 2Uncertainty assigned by TRC = 0.3 K; obtained from cooling curve in absence of air; TRC
Quantity Value Units Method Reference Comment
Deltavap20.2 ± 0.2kcal/molN/AVerevkin and Kozlova, 2008AC
Quantity Value Units Method Reference Comment
Deltasub22.50 ± 0.13kcal/molCSabbah and Buluku, 1991«DELTA»Hfusion =21.09±0.4 kJ/mol; ALS
Deltasub22.5kcal/molN/ASabbah and Buluku, 1991DRB
Deltasub22.5 ± 0.1kcal/molCSabbah and Buluku, 1991AC
Deltasub23.70 ± 0.40kcal/molCMagnus, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = 24.8 kcal/mol; ALS
Deltasub24.800kcal/molVCoolidge and Coolidge, 1927ALS

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
558.20.961Weast and Grasselli, 1989BS
558.0.961Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
16.8463.AStephenson and Malanowski, 1987Based on data from 448. - 559. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
432.3 - 559.5.88903049.481-40.485von Terres, Gebert, et al., 1955Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
24.04 ± 0.31332.N/AChen, Oja, et al., 2006Based on data from 325. - 339. K.; AC
22.4 ± 0.1334.CSabbah and Buluku, 1991AC
24.21341. - 400.GSBender, Bieling, et al., 1983AC
24.8 ± 0.2342.ME,TEde Kruif, 1981AC
24.81313.N/AMagnus, 1956Based on data from 298. - 346. K.; AC
23.7 ± 0.4351.VWolf and Weghofer, 1938ALS
24.81326. - 345.QFCoolidge and Coolidge, 1927AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
6.3337444.95N/ABret-Dibat and Lichanot, 1989DH
6.508445.1N/AVerevkin and Kozlova, 2008AC
6.329453.N/ABret-Dibat and Lichanot, 1989AC
6.4794445.5N/AAndrews, Lynn, et al., 1926DH
6.479445.1CAndrews, Lynn, et al., 1926AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
14.444.95Bret-Dibat and Lichanot, 1989DH
14.6445.5Andrews, 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:


Reaction thermochemistry 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C6H5O2- + Hydrogen cation = Hydroquinone

By formula: C6H5O2- + H+ = C6H6O2

Quantity Value Units Method Reference Comment
Deltar350.4 ± 2.1kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar343.1 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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

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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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1852
NIST MS number 228148

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References

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

Sabbah and Buluku, 1991
Sabbah, R.; Buluku, E.N.L.E., Thermodynamic study of three isomers of dihydroxybenzene, Can. J. Chem., 1991, 69, 481-488. [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]

Pushin, 1954
Pushin, N.A., Heats of combustion and heats of formation of isomeric organic compounds, Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [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]

Kudchadker S.A., 1979
Kudchadker S.A., Ideal gas thermodynamic properties of benzene diols: pyrocatechol, resorcinol, and hydroquinone, Thermochim. Acta, 1979, 30, 319-326. [all data]

Bret-Dibat and Lichanot, 1989
Bret-Dibat, P.; Lichanot, A., Thermodynamic properties of positional isomers of disubstituted benzene in condensed phase, Thermochim. Acta, 1989, 147(2), 261-271. [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]

Satoh and Sogabe, 1941
Satoh, S.; Sogabe, T., The heat capacities of some organic compounds containing nitrogen and the atomic heat of nitrogen. (3), Sci., Pap. Inst. Phys. Chem. Res. (Tokyo), 1941, 38, 238-245. [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]

Andrews, 1926
Andrews, D.H., The specific heats of some isomers of the type ortho, meta and para C6H4XY from 110 to 340K, J. Am. Chem. Soc., 1926, 48, 1287-1298. [all data]

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

Krupatkin and Rozhentsova, 1971
Krupatkin, I.L.; Rozhentsova, E.P., Some properties of systems with latent liquid immiscibility, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 1700. [all data]

Bret-Dibat and Lichanot, 1989, 2
Bret-Dibat, P.; Lichanot, A., Proprietes thermodynamiques des isomeres de position de benzenes disubstitues en phase condensee, Thermochim. Acta, 1989, 147, 2, 261, https://doi.org/10.1016/0040-6031(89)85181-0 . [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Sabbah and Buluku, 1991, 2
Sabbah, R.; Buluku, E.N.L.E., Thermodynamic stury of the three isomers of dihydroxybenzene, Can. J. Chem., 1991, 69, 481. [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]

Verevkin and Kozlova, 2008
Verevkin, Sergey P.; Kozlova, Svetlana A., Di-hydroxybenzenes: Catechol, resorcinol, and hydroquinone, Thermochimica Acta, 2008, 471, 1-2, 33-42, https://doi.org/10.1016/j.tca.2008.02.016 . [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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]

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]

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]

von Terres, Gebert, et al., 1955
von Terres, E.; Gebert, F.; Hulsemann, H.; Petereit, H.; Toepsch, H.; Ruppert, W., Zur Kenntnis der physikalisch-chemischen Grundlagen der Gewinnung und Zerlegung der Phenolfraktionen von Steinkohlenteer und Braunkohlenschwelteer. IV. Mitteilung Die Dampfdrucke von Phenol und Phenolderivaten, Brennst.-Chem., 1955, 36, 272-274. [all data]

Chen, Oja, et al., 2006
Chen, Xu; Oja, Vahur; Chan, W. Geoffrey; Hajaligol, Mohammad R., Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method, J. Chem. Eng. Data, 2006, 51, 2, 386-391, https://doi.org/10.1021/je050293h . [all data]

Bender, Bieling, et al., 1983
Bender, R.; Bieling, V.; Maurer, G., The vapour pressures of solids: anthracene, hydroquinone, and resorcinol, The Journal of Chemical Thermodynamics, 1983, 15, 6, 585-594, https://doi.org/10.1016/0021-9614(83)90058-7 . [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]

Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H., Uber sublimationswarmen, Z. Phys. Chem., 1938, 39, 194-208. [all data]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]


Notes

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