Duroquinone
- Formula: C10H12O2
- Molecular weight: 164.2011
- IUPAC Standard InChIKey: WAMKWBHYPYBEJY-UHFFFAOYSA-N
- CAS Registry Number: 527-17-3
- 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: p-Benzoquinone, 2,3,5,6-tetramethyl-; 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl-; Tetramethyl-p-benzoquinone; Tetramethyl-1,4-benzoquinone; Tetramethylquinone; 2,3,5,6-Tetramethyl-p-benzoquinone; 2,3,5,6-Tetramethyl-1,4-benzoquinone; 2,3,5,6-Tetramethylbenzoquinone; Tetramethyl-p-quinone; p-Benzoquinone, tetramethyl-; 2,3,5,6-Tetramethyl-2,5-cyclohexadiene-1,4-dione; NSC 2068; p-Benzoquinone, tetramethyl-, semiquinone
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Gas phase ion energetics data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.622 ± 0.061 | TDEq | Heinis, Chowdhury, et al., 1988 | ΔGea(423 K) = -36.0 kcal/mol; ΔSea = -3.2 eu.; B |
1.604 ± 0.048 | IMRE | Fukuda and McIver, 1985 | ΔGea(355 K) = -35.9 kcal/mol; ΔSea =-3.2, est. from data in Heinis, Chowdhury, et al., 1988; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.1 | PE | Bock, Kaim, et al., 1980 | LLK |
9.16 ± 0.03 | PI | Kotov and Potapov, 1972 | LLK |
9.16 ± 0.03 | PI | Potapov and Sorokin, 1971 | LLK |
9.25 ± 0.05 | PE | Dougherty and McGlynn, 1977 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C9H12O+ | 10.1 ± 0.05 | CO | PI | Potapov and Sorokin, 1971 | LLK |
IR Spectrum
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible 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
Gas Phase 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 | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible 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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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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. |
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Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2786 |
NIST MS number | 228993 |
UV/Visible spectrum
Go To: Top, Gas phase ion energetics 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: 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 | missing citation |
---|---|
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. 562 |
Instrument | Spectrophotometer SF-16 |
Melting point | 111.5 |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Heinis, Chowdhury, et al., 1988
Heinis, T.; Chowdhury, S.; Scott, S.L.; Kebarle, P.,
Electron Affinities of Benzo-, Naphtho-, and Anthraquinones Determined from Gas-Phase Equilibria Measurements,
J. Am. Chem. Soc., 1988, 110, 2, 400, https://doi.org/10.1021/ja00210a015
. [all data]
Fukuda and McIver, 1985
Fukuda, E.K.; McIver, R.T., Jr.,
Relative electron affinities of substituted benzophenones, nitrobenzenes, and quinones. [Anchored to EA(SO2) from 74CEL/BEN],
J. Am. Chem. Soc., 1985, 107, 2291. [all data]
Bock, Kaim, et al., 1980
Bock, H.; Kaim, W.; Timms, P.L.; Hawker, P.,
Durosemiquinone and its BF analogue - detection of 1,4-diborine as an unexpected elimination product,
Chem. Ber., 1980, 113, 3196. [all data]
Kotov and Potapov, 1972
Kotov, B.V.; Potapov, V.K.,
Ionization potentials of strong organic electron acceptors,
Khim. Vys. Energ., 1972, 6, 375. [all data]
Potapov and Sorokin, 1971
Potapov, V.K.; Sorokin, V.V.,
Photoionization and ion-molecule reactions in quinones and alcohols,
High Energy Chem., 1971, 5, 435, In original 487. [all data]
Dougherty and McGlynn, 1977
Dougherty, D.; McGlynn, S.P.,
Photoelectron spectroscopy of carbonyls. 1,4-Benzoquinones,
J. Am. Chem. Soc., 1977, 99, 3234. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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