Propiolic acid
- Formula: C3H2O2
- Molecular weight: 70.0468
- IUPAC Standard InChI: InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
- IUPAC Standard InChIKey: UORVCLMRJXCDCP-UHFFFAOYSA-N
- CAS Registry Number: 471-25-0
- 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: HC≡CCOOH; Acetylenecarboxylic acid; Propynoic acid; 2-Propynoic acid; Carboxyacetylene; Propargylic acid; Propinoic acid
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Gas phase ion energetics data
Go To: Top, 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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.45 | PE | Von Niessen, Bieri, et al., 1980 | LLK |
| 10.9 | PE | Von Niessen, Bieri, et al., 1980 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H2O+[HCCOH+] | 11.4 ± 0.2 | CO | EI | Van Baar, Weiske, et al., 1986 | LBLHLM |
Gas Chromatography
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.
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 | Methyl Silicone | 660. | Zenkevich, 1996 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | TC-Wax | 1538. | Miyazawa and Okuno, 2003 | He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C |
References
Go To: Top, 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.
Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L.,
30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O),
J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]
Van Baar, Weiske, et al., 1986
Van Baar, B.; Weiske, T.; Terlouw, J.; Schwarz, H.,
Hydroxyacetylene: Generation and characterization of the neutral molecule, radical cation and dication in the gas phase,
Angew. Chem. Int. Ed. Engl., 1986, 25, 282. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations,
Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]
Miyazawa and Okuno, 2003
Miyazawa, M.; Okuno, Y.,
Volatile components from the roots of Scrophularia ningpoensis Hemsl.,
Flavour Fragr. J., 2003, 18, 5, 398-400, https://doi.org/10.1002/ffj.1232
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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