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1,2-Benzenediol

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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-65.68 ± 0.29kcal/molCcrSabbah and Buluku, 1991«DELTA»Hfusion =15.00±0.34 kJ/mol; ALS
Deltafgas-63.93 ± 0.45kcal/molCcbRibeiro Da Silva and Ribeiro Da Silva, 1984ALS
Deltafgas-64.91 ± 0.48kcal/molCcbFinch, Gardner, et al., 1983ALS
Deltafgas-62.74kcal/molN/APushin, 1954Value computed using «DELTA»fHsolid° value of -344.0 kj/mol from Pushin, 1954 and «DELTA»subH° value of 81.5 kj/mol from Sabbah and Buluku, 1991.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.21950.Kudchadker S.A., 1979GT
10.83100.
15.00150.
19.62200.
26.439273.15
28.702298.15
28.867300.
37.158400.
43.953500.
49.307600.
53.516700.
56.864800.
59.577900.
61.8071000.
63.6661100.
65.2321200.
66.5611300.
67.6981400.
68.6781500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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-86.59 ± 0.26kcal/molCcrSabbah and Buluku, 1991«DELTA»Hfusion =15.00±0.34 kJ/mol; ALS
Deltafsolid-84.63 ± 0.26kcal/molCcbRibeiro Da Silva and Ribeiro Da Silva, 1984ALS
Deltafsolid-84.39 ± 0.26kcal/molCcbFinch, Gardner, et al., 1983ALS
Deltafsolid-82.2kcal/molCcbPushin, 1954Author's hf298_condensed=-83.8 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-682.67 ± 0.26kcal/molCcrSabbah and Buluku, 1991«DELTA»Hfusion =15.00±0.34 kJ/mol; Corresponding «DELTA»fsolid = -86.59 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-684.6 ± 0.2kcal/molCcbRibeiro Da Silva and Ribeiro Da Silva, 1984Corresponding «DELTA»fsolid = -84.63 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-684.87 ± 0.18kcal/molCcbFinch, Gardner, et al., 1983Corresponding «DELTA»fsolid = -84.383 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-687.0kcal/molCcbPushin, 1954Author's hf298_condensed=-83.8 kcal/mol; Corresponding «DELTA»fsolid = -82.3 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-684.0kcal/molCcbBarker, 1925Author was aware that data differs from previously reported values; Corresponding «DELTA»fsolid = -85.3 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
33.501298.15Bret-Dibat and Lichanot, 1989T = 200 to 500 K. Cp(c) = 132.494 + 0.2808t + 5.4046x10-4t2 + 2.0581x10-5t3 J/mol*K (t/°C). Cp value calculated from equation.; DH
33.60298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
37.50323.Satoh and Sogabe, 1941T = 0 to 100°C. Mean value.; DH
31.60298.Andrews, Lynn, et al., 1926T = 22 to 200°C.; DH
33.29297.9Andrews, 1926T = 110 to 344 K. Value is unsmoothed experimental datum.; DH

Reaction 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: 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 = 1,2-Benzenediol

By formula: C6H5O2- + H+ = C6H6O2

Quantity Value Units Method Reference Comment
Deltar339.5 ± 2.1kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale
Deltar339.8 ± 2.6kcal/molG+TSKebarle and McMahon, 1977gas phase
Quantity Value Units Method Reference Comment
Deltar332.7 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale
Deltar332.9 ± 2.0kcal/molIMREKebarle and McMahon, 1977gas phase

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]

Ribeiro Da Silva and Ribeiro Da Silva, 1984
Ribeiro Da Silva, M.D.M.C.; Ribeiro Da Silva, M.A.V., Enthalpies of combustion of 1,2-dihydroxybenzene and of six alkylsubstituted 1,2-dihydroxybenzenes, J. Chem. Thermodyn., 1984, 16, 1149-1155. [all data]

Finch, Gardner, et al., 1983
Finch, A.; Gardner, P.J.; Wu, D., Studies on nitrophenols. Part IV. The standard enthalpies of combustion and formation of 1,2-dihydroxybenzene, 1,2- and 1,4-nitrophenol, Thermochim. Acta, 1983, 66, 333-342. [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]

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]

Barker, 1925
Barker, M.F., Calorific value and constitution, J. Phys. Chem., 1925, 29, 1345-1363. [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]

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]

Kebarle and McMahon, 1977
Kebarle, P.; McMahon, T.B., Intrinsic Acidities of Substituted Phenols and Benzoic Acids Determined by Gas Phase Proton Transfer Equilibria, J. Am. Chem. Soc., 1977, 99, 7, 2222, https://doi.org/10.1021/ja00449a032 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References