2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-
- Formula: C8H8O2
- Molecular weight: 136.1479
- IUPAC Standard InChIKey: SENUUPBBLQWHMF-UHFFFAOYSA-N
- CAS Registry Number: 527-61-7
- 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, 2,6-dimethyl-; m-Xyloquinone; 2,6-Dimethyl-p-benzoquinone; 2,6-Dimethyl-1,4-benzoquinone; 2,6-Dimethyl-1,4-quinone; 2,6-Dimethylbenzoquinone; 2,6-Dimethylquinone; 2,6-Xyloquinone; 2,6-Dimethylbenzo-1,4-quinone; 2,6-Dimethyl-2,5-cyclohexadien-1,4-dione; 3,5-Dimethylbenzoquinone; NSC 17549; 2,6-Dimethyl-2,5-cycloxehadien-1,4-dione
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Gas phase ion energetics data
Go To: Top, 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: John E. Bartmess
View reactions leading to C8H8O2+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.765 ± 0.061 | IMRE | Heinis, Chowdhury, et al., 1988 | ΔGea(423 K) = -39.3 kcal/mol; ΔSea (estimated) = -3.3 eu |
1.761 ± 0.048 | IMRE | Fukuda and McIver, 1985 | ΔGea(355 K) = -39.4 kcal/mol; ΔSea =-3.3, est. from data in Heinis, Chowdhury, et al., 1988 |
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 | 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 | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-8937 |
NIST MS number | 238789 |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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