2-Buten-1-ol, (E)-
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChI: InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
- IUPAC Standard InChIKey: WCASXYBKJHWFMY-NSCUHMNNSA-N
- CAS Registry Number: 504-61-0
- 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. - Stereoisomers:
- Other names: trans-Crotonyl Alcohol; trans-Crotyl Alcohol; trans-2-Buten-1-Ol; trans-2-Butenol; trans-2-Butenyl alcohol; 2-(E)-Buten-1-ol; (E)-2-Buten-1-ol
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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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C4H8O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.15 | EI | McAdoo and Hudson, 1983 | LBLHLM |
De-protonation reactions
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1564. ± 12. | kJ/mol | G+TS | Graul, Schnute, et al., 1990 | gas phase; Mixture of cis and trans isomers; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1536. ± 12. | kJ/mol | CIDC | Graul, Schnute, et al., 1990 | gas phase; Mixture of cis and trans isomers; B |
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.
McAdoo and Hudson, 1983
McAdoo, D.J.; Hudson, C.E.,
The decompositions of metastable [C4H8O]+ ions and the [C4H8O]+ potential surface,
Org. Mass Spectrom., 1983, 18, 466. [all data]
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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