Methyl 2-butynoate
- Formula: C5H6O2
- Molecular weight: 98.0999
- IUPAC Standard InChI: InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1-2H3
- IUPAC Standard InChIKey: UJQCANQILFWSDJ-UHFFFAOYSA-N
- CAS Registry Number: 23326-27-4
- 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: Methyl tetrolate; 2-Butynoic acid, methyl ester
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Phase change data
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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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference |
|---|---|---|
| 349.7 | 0.11 | Aldrich Chemical Company Inc., 1990 |
| 349. to 350. | 0.11 | Farchan Laboratories, 1990 |
Gas phase ion energetics data
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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: Sharon G. Lias and Joel F. Liebman
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H3O2+ | 10.30 | CH3 | EI | Takhistov and Ponomarev, 1994 | Unpublished result of Khlebnikova,N.S.; Orlov,V.M.; Ponomarev,D.A.; Takhistov,V.V. |
| C4H3O2+ | 11.11 | CH3 | EST | Takhistov and Ponomarev, 1994 |
References
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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]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
Takhistov and Ponomarev, 1994
Takhistov, V.V.; Ponomarev, D.A.,
Isodesmic reactions and thermochemistry of ions,
Org. Mass Spectrom., 1994, 29, 395. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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