Benzene, 1-methoxy-2-methyl-
- Formula: C8H10O
- Molecular weight: 122.1644
- 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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Phase change data
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 444.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 445.0 | K | N/A | Olson, Hipsher, et al., 1947 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 444.88 | K | N/A | Boord, Greenlee, et al., 1945 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 557.35 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 239.05 | K | N/A | Olson, Hipsher, et al., 1947 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 238.97 | K | N/A | Boord, Greenlee, et al., 1945 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 662.0 | K | N/A | Young, 1994 | Uncertainty assigned by TRC = 0.6 K; TRC |
Gas phase ion energetics data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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 |
IR Spectrum
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, IR 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118456 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Olson, Hipsher, et al., 1947
Olson, W.T.; Hipsher, H.F.; Buess, C.M.; Goodman, I.A.; Hart, I.; Lamneck, J.H.; Gibbons, L.C.,
The Synthesis and Purification of Ethers,
J. Am. Chem. Soc., 1947, 69, 2451-4. [all data]
Boord, Greenlee, et al., 1945
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L.,
, Am. Pet. Inst. Res. Proj. 45, Seventh Annu. Rep., Ohio State Univ., June 30, 1945. [all data]
Perkin, 1896
Perkin, W.H.,
LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds,
J. Chem. Soc., 1896, 69, 1025-1257. [all data]
Young, 1994
Young, C.L.,
Personal Commun. 1994 1994, 1994. [all data]
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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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