1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-
- Formula: C14H22O2
- Molecular weight: 222.3233
- IUPAC Standard InChIKey: PJZLSMMERMMQBJ-UHFFFAOYSA-N
- CAS Registry Number: 1020-31-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1,2-Benzenediol, 3,5-di(1,1-dimethylethyl)-; 3,5-di-tert-Butylcatechol; 3,5-di-t-Butylcatechol; Pyrocatechol, 3,5-di-tert-butyl-; 3,5-Di-tert-butylpyrocatechol; 4,6-Di-tert-butylpyrocatechol; 3,5-Di-tert-butyl-1,2-benzenediol; 3,5-Bis(1,1-dimethylethyl)catechol; NSC 59767
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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 |
---|---|---|---|---|---|
ΔfH°gas | -470.5 ± 2.7 | kJ/mol | Ccb | Ribeiro 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 |
---|---|---|---|---|---|
ΔfH°solid | -570.6 ± 2.6 | kJ/mol | Ccb | Ribeiro Da Silva and Ribeiro Da Silva, 1984 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -8082.7 ± 1.8 | kJ/mol | Ccb | Ribeiro Da Silva and Ribeiro Da Silva, 1984 | Corresponding ΔfHºsolid = -570.6 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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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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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, 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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas 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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