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
Δfgas-66.20 ± 0.33kcal/molCcrSabbah and Buluku, 1991ΔHfusion =21.09±0.4 kJ/mol; ALS
Δfgas-65.01kcal/molN/APilcher and Sutton, 1956Value computed using ΔfHsolid° value of -366.1±1.2 kj/mol from Pilcher and Sutton, 1956 and ΔsubH° value of 94.1 kj/mol from Sabbah and Buluku, 1991.; DRB
Δfgas-64.27kcal/molN/AParks, Manchester, et al., 1954Value computed using ΔfHsolid° value of -363.0±1.0 kj/mol from Parks, Manchester, et al., 1954 and ΔsubH° value of 94.1 kj/mol from Sabbah and Buluku, 1991.; DRB
Δfgas-63.79kcal/molN/APushin, 1954Value computed using ΔfHsolid° value of -361.0 kj/mol from Pushin, 1954 and ΔsubH° value of 94.1 kj/mol from Sabbah and Buluku, 1991.; DRB
Δfgas-64.15kcal/molN/ASchreiner, 1925Value computed using ΔfHsolid° value of -362.5 kj/mol from Schreiner, 1925 and ΔsubH° 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.

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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Source Kiss, Molnar, et al., 1949
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 5032
Instrument n.i.g.
Melting point 172.3
Boiling point 287

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedOV-1180.1327.Radecki and Grzybowski, 1978Chromosorb W HMDS (100-120 mesh); Column length: 2.1 m

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedSE-301334.Grzybowski, Lamparczyk, et al., 1980Chromosorb W HMDS (80-100 mesh); Column length: 2.9 m; Program: not specified

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax2693.Shiratsuchi, Shimoda, et al., 199360. m/0.25 mm/0.25 μm, 50. C @ 4. min, 2. K/min, 230. C @ 30. min
CapillaryDB-Wax2693.Shiratsuchi, Shimoda, et al., 199360. m/0.25 mm/0.25 μm, 50. C @ 4. min, 2. K/min, 230. C @ 30. min

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1241.Xian, Chen, et al., 200630. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 6 0C/min -> 150 0C (1 min) 10 0C/min -> 250 0C (10 min)
CapillarySE-301334.Peterson, 1992Program: not specified

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5220.6Wang, Hou, et al., 200730. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min
CapillaryDB-5207.49Williams and Horne, 1995He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C

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.

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]

Kiss, Molnar, et al., 1949
Kiss, A.; Molnar, J.; Sandorfy, C., Les spectres d'absorption des derives phenoliques, Bull. Soc. Chim. Fr., 1949, 16, 275-280. [all data]

Radecki and Grzybowski, 1978
Radecki, A.; Grzybowski, J., Linear relationship between retention indices and chemical structure of phenols, J. Chromatogr., 1978, 152, 1, 211-213, https://doi.org/10.1016/S0021-9673(00)85352-2 . [all data]

Grzybowski, Lamparczyk, et al., 1980
Grzybowski, J.; Lamparczyk, H.; Nasal, A.; Radecki, A., Relationship between the retention indices of phenols on polar and non-polar stationary phases, J. Chromatogr., 1980, 196, 2, 217-223, https://doi.org/10.1016/S0021-9673(00)80441-0 . [all data]

Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y., Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1, J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027 . [all data]

Xian, Chen, et al., 2006
Xian, Q.-M.; Chen, H.-D.; Zou, H.-H., Allelopathic activity of volatile substance from submerged macrophytes on Microcystin aeruginosa, Acta Ecologica Sinica, 2006, 26, 11, 3549-3554, https://doi.org/10.1016/S1872-2032(06)60054-1 . [all data]

Peterson, 1992
Peterson, K.L., Counter-Propagation Neural Networks in the Modeling and Prediction of Kovats Indices for Substituted Phenols, Anal. Chem., 1992, 64, 4, 379-386, https://doi.org/10.1021/ac00028a011 . [all data]

Wang, Hou, et al., 2007
Wang, G.; Hou, Z.; Sun, Y.; Liu, Y.; Xie, B.; Liu, S., Investigation of pyrolysis behavior of fenoxycarb using PY-GC-MS assisted with chemometric methods, Chem. Anal., 2007, 52, 141-156. [all data]

Williams and Horne, 1995
Williams, P.T.; Horne, P.A., Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass, J. Anal. Appl. Pyrolysis, 1995, 31, 15-37, https://doi.org/10.1016/0165-2370(94)00814-H . [all data]


Notes

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