2-Methoxythiophene
- Formula: C5H6OS
- Molecular weight: 114.166
- IUPAC Standard InChI: InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3
- IUPAC Standard InChIKey: OKEHURCMYKPVFW-UHFFFAOYSA-N
- CAS Registry Number: 16839-97-7
- 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: Thiophene, 2-methoxy-
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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 by: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference |
|---|---|---|
| 424.7 | 1.00 | Aldrich Chemical Company Inc., 1990 |
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:
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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.02 | PE | Bajic, Humski, et al., 1985 | LBLHLM |
| 8.14 ± 0.05 | EI | Thorstad, Undheim, et al., 1975 | LLK |
| 8.08 | CTS | Aloisi, Santini, et al., 1975 | LLK |
| 8.30 ± 0.05 | EI | Linda, Marino, et al., 1971 | LLK |
| 8.30 | EI | Pignataro, Linda, et al., 1969 | RDSH |
| 8.18 | PE | Bajic, Humski, et al., 1985 | Vertical value; LBLHLM |
Gas Chromatography
Go To: Top, Phase change data, 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.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5 | 878. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) |
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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Bajic, Humski, et al., 1985
Bajic, M.; Humski, K.; Klasinc, L.; Ruscic, B.,
Substitution effects on electronic structure of thiophene,
Z. Naturforsch. B:, 1985, 40, 1214. [all data]
Thorstad, Undheim, et al., 1975
Thorstad, O.; Undheim, K.; Cederlund, B.; Hornfeldt, A.-B.,
Ionisation potentials in tautomeric analysis of 2-hydroxy derivatives of thiophenes, selenophenes, and furans,
Acta Chem. Scand. Ser. B:, 1975, 29, 647. [all data]
Aloisi, Santini, et al., 1975
Aloisi, G.; Santini, S.; Savelli, G.,
Molecular complexes of heteroaromatic five membered ring compounds with tetracyanoethylene. Charge transfer spectra, equilibrium constants and ionization potentials of the donors,
J. Chem. Soc. Faraday Trans. 1, 1975, 70, 2045. [all data]
Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S.,
A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization,
J. Chem. Soc. B, 1971, 1585. [all data]
Pignataro, Linda, et al., 1969
Pignataro, S.; Linda, P.; Marino, G.,
The ionization potential of 2-substituted thiophenes,
Ric. Sci., 1969, 39, 668. [all data]
Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss,
Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [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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