1-Propene, 3-methoxy-
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChI: InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3
- IUPAC Standard InChIKey: FASUFOTUSHAIHG-UHFFFAOYSA-N
- CAS Registry Number: 627-40-7
- 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: Ether, allyl methyl; Allyl methyl ether; Methyl allyl ether; Methyl 2-propenyl ether; 1-Methoxy-2-propene; 3-Methoxypropene; 4-Oxapent-1-ene; CH2=CHCH2OCH3; 3-Methoxy-1-propene
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Reaction thermochemistry 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual Reactions
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1626. ± 17. | kJ/mol | G+TS | Dahlke and Kass, 1991 | gas phase; Between H2O, furan. Reprotonation site uncertain; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1598. ± 17. | kJ/mol | IMRB | Dahlke and Kass, 1991 | gas phase; Between H2O, furan. Reprotonation site uncertain; B |
=
By formula: C4H8O = C4H8O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -20.2 ± 0.2 | kJ/mol | Eqk | Taskinen, 1993 | liquid phase; solvent: DMSO; Isomerization; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dahlke and Kass, 1991
Dahlke, G.D.; Kass, S.R.,
Substituent Effects in the Gas Phase - 1-Substituted Allyl Anions,
J. Am. Chem. Soc., 1991, 113, 15, 5566, https://doi.org/10.1021/ja00015a008
. [all data]
Taskinen, 1993
Taskinen, E.,
Relative thermodynamic stabilities of isomeric alkyl allyl and alkyl (Z)-propenyl ethers,
Tetrahedron, 1993, 49, 11389-11394. [all data]
Notes
Go To: Top, Reaction thermochemistry 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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