Benzene, 1-methoxy-2-methyl-
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChI: InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
- IUPAC Standard InChIKey: DTFKRVXLBCAIOZ-UHFFFAOYSA-N
- CAS Registry Number: 578-58-5
- 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: Anisole, o-methyl-; o-Cresol methyl ether; o-Cresyl methyl ether; o-Methoxytoluene; o-Methylanisole; Methyl o-cresyl ether; Methyl o-tolyl ether; 1-Methoxy-2-methylbenzene; 2-Methoxytoluene; 2-Methylanisole; 2-Methylmethoxybenzene; Methyl o-methylphenyl ether; Methyl-o-cresol; o-Methylanisol; NSC 6253
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Gas phase ion energetics data
Go To: Top, UV/Visible 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 as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C8H10O+ (ion structure unspecified)
Proton affinity at 298K
| Proton affinity (kJ/mol) | Reference | Comment |
|---|---|---|
| 850. ± 8. | van Beelen, Koblenz, et al., 2004 | T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM |
Gas basicity at 298K
| Gas basicity (review) (kJ/mol) | Reference | Comment |
|---|---|---|
| 818. ± 8. | van Beelen, Koblenz, et al., 2004 | T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.90 | PE | Behan, Dean, et al., 1976 | LLK |
| 8.03 ± 0.02 | PE | Maier and Turner, 1973 | LLK |
| 8.1 ± 0.15 | CTS | Voigt and Reid, 1964 | RDSH |
| 8.24 | PE | Friege and Klessinger, 1979 | Vertical value; LLK |
| 8.24 | PE | Kobayashi and Nagakura, 1974 | Vertical value; LLK |
UV/Visible spectrum
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.
Spectrum
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Additional Data
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| Source | Burawoy and Chamberlain, 1952 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 5409 |
| Instrument | Hilger E3 quartz spectrograph |
| Melting point | - 34.1 |
| Boiling point | 171 |
References
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
van Beelen, Koblenz, et al., 2004
van Beelen, E.S.E.; Koblenz, T.A.; Ingemann, S.; Hammerum, S.,
Experimental and theoretical evaluation of proton affinities of furan, the methylphenols, and the related anisoles,
J. Phys. Chem. A, 2004, 108, 2787. [all data]
Behan, Dean, et al., 1976
Behan, J.M.; Dean, F.M.; Johnstone, R.A.W.,
Photoelectron spectra of cyclic aromatic ethers. The question of the Mills-Nixon effect,
Tetrahedron, 1976, 32, 167. [all data]
Maier and Turner, 1973
Maier, J.P.; Turner, D.W.,
Steric inhibition of resonance studied by molecular photoelectron spectroscopy Part 3. Anilines, Phenols and Related Compounds,
J. Chem. Soc. Faraday Trans. 2, 1973, 69, 521. [all data]
Voigt and Reid, 1964
Voigt, E.M.; Reid, C.,
Ionization potentials of substituted benzenes and their charge-transfer spectra with tetracyanoethylene,
J. Am. Chem. Soc., 1964, 86, 3930. [all data]
Friege and Klessinger, 1979
Friege, H.; Klessinger, M.,
Elektronenstruktur von Alkyl-aryl- und Alkyl-vinyl-ethern,
Chem. Ber., 1979, 112, 1614. [all data]
Kobayashi and Nagakura, 1974
Kobayashi, T.; Nagakura, S.,
Photoelectron spectra of substituted benzenes,
Bull. Chem. Soc. Jpn., 1974, 47, 2563. [all data]
Burawoy and Chamberlain, 1952
Burawoy, A.; Chamberlain, J.T.,
J. Chem. Soc., 1952, 2310. [all data]
Notes
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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