2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-
- Formula: C6H2Cl2O2
- Molecular weight: 176.985
- IUPAC Standard InChI: InChI=1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
- IUPAC Standard InChIKey: LNXVNZRYYHFMEY-UHFFFAOYSA-N
- CAS Registry Number: 615-93-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: p-Benzoquinone, 2,5-dichloro-; 2,5-Dichloro-p-benzoquinone; 2,5-Dichloro-1,4-benzoquinone; 2,5-Dichloro-2,5-cyclohexa-diene-1,4-dione; 2,5-Dichoro-p-benzoquinone; 2,5-Dichlorobenzoquinone
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Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.437 ± 0.061 | IMRE | Heinis, Chowdhury, et al., 1988 | ΔGea= -54.7 kcal/mol; ΔSea estimated = -3.5 eU; B |
| 2.372 ± 0.048 | IMRE | Fukuda and McIver, 1985 | ΔGea(355 K) = -53.5 kcal/mol; ΔSea =-3.5, est. from data in Heinis, Chowdhury, et al., 1988; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.24 ± 0.03 | PI | Kotov and Potapov, 1972 | LLK |
References
Go To: Top, Gas phase ion energetics data, 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]
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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