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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Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -3361. | kJ/mol | Ccb | Swietoslawski and Starczedska, 1925 | Corresponding ΔfHºsolid = -251. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 341.15 | K | N/A | Sabatier and Mailhe, 1909 | Uncertainty assigned by TRC = 2. K |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change 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 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 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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.
Swietoslawski and Starczedska, 1925
Swietoslawski, W.; Starczedska, H.,
Correction des donnees thermochimiques de M.A. Valeur,
J. Chem. Phys., 1925, 22, 399-401. [all data]
Sabatier and Mailhe, 1909
Sabatier, P.; Mailhe, A.,
New Applications of the General Method of Hydrogenation with Various Metals,
Ann. Chim. Phys., 1909, 16, 70. [all data]
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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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