Propanoyl
- Formula: C3H5O
- Molecular weight: 57.0712
- IUPAC Standard InChI: InChI=1S/C3H5O/c1-2-3-4/h2H2,1H3
- IUPAC Standard InChIKey: UFUASNAHBMBJIX-UHFFFAOYSA-N
- CAS Registry Number: 15843-24-0
- 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: Propionyl radical
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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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess
View reactions leading to C3H5O+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.91 ± 0.15 | D-EA | Graul, Schnute, et al., 1990 | B |
| 3.50998 | EIAE | Bouby, Compton, et al., 1968 | EA probably 2 eV less; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.6 | DER | Lias, Bartmess, et al., 1988 | Original publication provided a value of 5.7 ev. This value was later found to be the result of an error in the sign of the heat of formation of a radical precursor.; LL |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R.,
Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions,
Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F
. [all data]
Bouby, Compton, et al., 1968
Bouby, L.; Compton, R.N.; Souleyrol, A.,
Formation d'ions negatifs dans l'alcool allylique et l'acroleine.,
Comptes Rendues. Acad. Sc. Paris, 1968, 266, 1250. [all data]
Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G.,
Gas-phase ion and neutral thermochemistry,
J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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