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1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-112.5 ± 0.65kcal/molCcbRibeiro Da Silva and Ribeiro Da Silva, 1984 

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-136.4 ± 0.62kcal/molCcbRibeiro Da Silva and Ribeiro Da Silva, 1984 
Quantity Value Units Method Reference Comment
Deltacsolid-1931.8 ± 0.43kcal/molCcbRibeiro Da Silva and Ribeiro Da Silva, 1984Corresponding «DELTA»fsolid = -136.4 kcal/mol (simple calculation by NIST; no Washburn corrections)

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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltasub25.0 ± 0.1kcal/molGSVerevkin and Schick, 2000AC
Deltasub23.9 ± 0.1kcal/molCCarson, 1984AC
Deltasub23.9 ± 0.1kcal/molCRibeiro Da Silva and Ribeiro Da Silva, 1984ALS
Deltasub23.92kcal/molN/ARibeiro Da Silva and Ribeiro Da Silva, 1984DRB

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
24.8 ± 0.1330.GSVerevkin and Schick, 2000AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
5.76372.8Verevkin and Schick, 2000AC

IR 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: 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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Owner SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
State gas

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


Mass spectrum (electron ionization)

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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

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 RADIAN CORP
NIST MS number 70359

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.


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, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Stallings, et al., 1981
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. 18831
Instrument Cary 17D
Melting point 96-99

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

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1683.Xie, Sun, et al., 200630. m/0.25 mm/0.25 «mu»m, He; Program: 40C(1min) => 15C/min => 100C => 4C/min => 250C (1min)

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

Verevkin and Schick, 2000
Verevkin, Sergey P.; Schick, Christoph, Substituent Effects on the Benzene Ring. Determination of the Intramolecular Interactions of Substituents in tert -Alkyl-Substituted Catechols from Thermochemical Measurements, J. Chem. Eng. Data, 2000, 45, 5, 946-952, https://doi.org/10.1021/je0001126 . [all data]

Carson, 1984
Carson, A.S., The molar enthalpy of dehydration of Cr2(O2CCH3)4·2H2O(cr) and the molar enthalpies of sublimation of Cr2(O2CCH3)4(cr), Mo2(O2CCH3)4(cr), and Mo2(O2CCF3)4(cr), The Journal of Chemical Thermodynamics, 1984, 16, 5, 427-429, https://doi.org/10.1016/0021-9614(84)90198-8 . [all data]

Stallings, et al., 1981
Stallings, M.D., et al., Inorg. Chem., 1981, 20, 2655. [all data]

Xie, Sun, et al., 2006
Xie, J.; Sun, B.; Yu, M., Constituents of top fragrance from fresh flowers of Robinia Pseudoacacia L. occurring in China, Flavour Fragr. J., 2006, 21, 5, 798-800, https://doi.org/10.1002/ffj.1720 . [all data]


Notes

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