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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase ion energetics data
Go To: Top, IR 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, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
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. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
References
Go To: Top, Gas phase ion energetics data, IR 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, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.