Benzene, 1-ethoxy-2-methyl-
- Formula: C9H12O
- Molecular weight: 136.1910
- IUPAC Standard InChI: InChI=1S/C9H12O/c1-3-10-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
- IUPAC Standard InChIKey: JWMKUKRBNODZFA-UHFFFAOYSA-N
- CAS Registry Number: 614-71-1
- 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: Phenetole, o-methyl-; o-Ethoxytoluene; Ethyl o-tolyl ether; 1-Ethoxy-2-methylbenzene; 2-Ethoxytoluene; o-Methylphenetole
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Phase change data
Go To: Top, Gas phase ion energetics data, 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:
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 | 457.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 458. | K | N/A | Von Auwers, 1918 | Uncertainty assigned by TRC = 2. K; TRC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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
View reactions leading to C9H12O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.0 | PE | Baker, Armen, et al., 1981 | LLK |
| 8.4 | PE | Baker, Armen, et al., 1981 | Vertical value; LLK |
| 8.21 | PE | Friege and Klessinger, 1979 | Vertical value; LLK |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1054.5 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
References
Go To: Top, Phase change data, 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.
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]
Von Auwers, 1918
Von Auwers, K.,
Justus Liebigs Ann. Chem., 1918, 415, 98. [all data]
Baker, Armen, et al., 1981
Baker, A.D.; Armen, G.H.; Guang-di, Y.,
Photoelectron spectra of alkyl aryl selenides. Electronic and steric factors in the observation of rotamers,
J. Org. Chem., 1981, 46, 4127. [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]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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