Benzene, 1,2,4,5-tetramethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: SQNZJJAZBFDUTD-UHFFFAOYSA-N
- CAS Registry Number: 95-93-2
- 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: Durene; Durol; 1,2,4,5-Tetramethylbenzene; p-Xylene, 2,5-dimethyl-
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.06 ± 0.03 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
<0.048 ± 0.017 | ECD | Wojnarovits and Foldiak, 1981 | EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.1 eV, anion unbound.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.07 | PE | Santiago, Gandour, et al., 1978 | LLK |
8.50 ± 0.05 | EI | Meyer and Harrison, 1964 | RDSH |
8.025 ± 0.005 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
8.03 | PI | Bralsford, Harris, et al., 1960 | RDSH |
8.2 | CTS | Foster, 1959 | RDSH |
8.37 | CTS | Briegleb and Czekalla, 1959 | RDSH |
8.05 ± 0.02 | PI | Vilesov and Terenin, 1957 | RDSH |
8.05 | PE | Howell, Goncalves, et al., 1984 | Vertical value; LBLHLM |
8.13 | PE | Cabelli, Cowley, et al., 1982 | Vertical value; LBLHLM |
8.05 | PE | Bock and Kaim, 1978 | Vertical value; 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.
Wojnarovits and Foldiak, 1981
Wojnarovits, L.; Foldiak, G.,
Electron capture detection of aromatic hydrocarbons,
J. Chromatogr. Sci., 1981, 206, 511. [all data]
Chen and Wentworth, 1989
Chen, E.C.M.; Wentworth, W.E.,
Experimental Determination of Electron Affinities of Organic Molecules,
Mol. Cryst. Liq. Cryst., 1989, 171, 271. [all data]
Santiago, Gandour, et al., 1978
Santiago, C.; Gandour, R.W.; Houk, K.N.; Nutakul, W.; Cravey, W.E.; Thummel, R.P.,
Photoelectron and ultraviolet spectra of small-ring fused aromatic molecules as probes of aromatic ring distortions,
J. Am. Chem. Soc., 1978, 100, 3730. [all data]
Meyer and Harrison, 1964
Meyer, F.; Harrison, A.G.,
Ionization potentials of methyl-substituted benzenes and cyclopentadienes,
Can. J. Chem., 1964, 42, 2256. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C.,
The effect of fluorine on the electronic spectra and ionization potentials of molecules,
Proc. Roy. Soc. (London), 1960, A258, 459. [all data]
Foster, 1959
Foster, R.,
Ionization potentials of electron donors,
Nature (London), 1959, 183, 1253. [all data]
Briegleb and Czekalla, 1959
Briegleb, G.; Czekalla, J.,
Die Bestimmung von lonisierungsenergien aus den Spektren von Elektronenubergangskomplexen,
Z.Elektrochem., 1959, 63, 6. [all data]
Vilesov and Terenin, 1957
Vilesov, F.I.; Terenin, A.N.,
The photoionization of the vapors of certain organic compounds,
Dokl. Akad. Nauk SSSR, 1957, 115, 744, In original 539. [all data]
Howell, Goncalves, et al., 1984
Howell, J.O.; Goncalves, J.M.; Amatore, C.; Klasinc, L.; Wightman, R.M.; Kochi, J.K.,
Electron transfer from aromatic hydrocarbons and their π-complexes with metals. Comparison of the standard oxidation potentials and vertical ionization potentials,
J. Am. Chem. Soc., 1984, 106, 3968. [all data]
Cabelli, Cowley, et al., 1982
Cabelli, D.E.; Cowley, A.H.; Lagowski, J.J.,
The bonding in some bis(arene)chromium compounds as indicated by U. V. photoelectron zpectroscopy,
Inorg. Chim. Acta, 1982, 57, 195. [all data]
Bock and Kaim, 1978
Bock, H.; Kaim, W.,
Einelektronen-Oxidationen (H3C)3SiCH2-substituierter Benzole in der Gasphase und in Losung,
Chem. Ber., 1978, 111, 3552. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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