p-Benzoquinone, 2-methyl-
- Formula: C7H6O2
- Molecular weight: 122.1213
- IUPAC Standard InChI: InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
- IUPAC Standard InChIKey: VTWDKFNVVLAELH-UHFFFAOYSA-N
- CAS Registry Number: 553-97-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2,5-Cyclohexadiene-1,4-dione, 2-methyl-; p-Toluquinone; Methyl-p-benzoquinone; Methyl-1,4-benzoquinone; Toluquinone; Tolylquinone; 2-Methyl-p-benzoquinone; 2-Methyl-1,4-benzoquinone; 2-Methylbenzoquinone; 2-Methylquinone; 1,4-Toluquinone; 2-Methyl-1,4-quinone; 2-Methylbenzoquinone-1,4; 2-Methyl-1,4-benzochinon; 1,4-Toluchinon; 2-Methyl-2,5-cyclohexadiene-1,4-dione; NSC 405002
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, 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 |
|---|---|---|---|
| 1.852 ± 0.061 | IMRE | Heinis, Chowdhury, et al., 1988 | ΔGea(423 K) = -41.1 kcal/mol; ΔSea (estimated) = -4.0 eu.; B |
| 1.852 ± 0.048 | IMRE | Fukuda and McIver, 1985 | ΔGea(355 K) = -41.3 kcal/mol; ΔSea =-4.0, est. from data in Heinis, Chowdhury, et al., 1988; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.78 | PE | Kobayashi, 1975 | LLK |
| 9.78 ± 0.02 | PI | Potapov and Sorokin, 1971 | LLK |
Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 180. | 1008. | Llobera and García-Raso, 1987 | N2, Chromosorb P AW DMCS; Column length: 2. m |
| Packed | SE-30 | 190. | 1015. | Llobera and García-Raso, 1987 | N2, Chromosorb P AW DMCS; Column length: 2. m |
| Packed | SE-30 | 200. | 1018. | Llobera and García-Raso, 1987 | N2, Chromosorb P AW DMCS; Column length: 2. m |
| Packed | SE-30 | 210. | 1025. | Llobera and García-Raso, 1987 | N2, Chromosorb P AW DMCS; Column length: 2. m |
| Packed | SE-30 | 220. | 1031. | Llobera and García-Raso, 1987 | N2, Chromosorb P AW DMCS; Column length: 2. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 180. | 1616. | Llobera and García-Raso, 1987 | N2, Chromosorb P AW DMCS (60-80 mesh); Column length: 2. m |
| Packed | Carbowax 20M | 190. | 1624. | Llobera and García-Raso, 1987 | N2, Chromosorb P AW DMCS (60-80 mesh); Column length: 2. m |
| Packed | Carbowax 20M | 200. | 1633. | Llobera and García-Raso, 1987 | N2, Chromosorb P AW DMCS (60-80 mesh); Column length: 2. m |
| Packed | Carbowax 20M | 210. | 1640. | Llobera and García-Raso, 1987 | N2, Chromosorb P AW DMCS (60-80 mesh); Column length: 2. m |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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]
Kobayashi, 1975
Kobayashi, T.,
Photoelectron spectra of p-benzoquinones,
J. Electron. Spectrosc. Relat. Phenom., 1975, 7, 349. [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]
Llobera and García-Raso, 1987
Llobera, A.; García-Raso, A.,
Gas chromatographic behaviour of several p-quinones,
J. Chromatogr., 1987, 393, 2, 305-311, https://doi.org/10.1016/S0021-9673(01)94227-X
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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