3-Methyl,2-butenoic acid, isopropyl ester
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChI: InChI=1S/C8H14O2/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3
- IUPAC Standard InChIKey: QQVQBUXUAZCLLZ-UHFFFAOYSA-N
- CAS Registry Number: 25859-51-2
- 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: Isopropyl 3-methyl-2-butenoate; 2-Butenoic acid, 3-methyl, 1-methylethyl ester; Crotonic acid, 3-methyl-, isopropyl ester; Isopropyl 3-methylbut-2-enoate
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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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 12.0 ± 0.05 | kcal/mol | GS | Emel'yanenko, Toktonov, et al., 2008 | Based on data from 279. to 313. K. |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 150. | 940. | Ashes and Haken, 1975 | He, Celatom silanized (62-72 mesh); Column length: 3.7 m |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Emel'yanenko, Toktonov, et al., 2008
Emel'yanenko, Vladimir N.; Toktonov, Alexey V.; Kozlova, Svetlana A.; Verevkin, Sergey P.; Andrushko, Vasyl; Andrushko, Natalia; Börner, Armin,
Structure-Energy Relationships in Unsaturated Esters of Carboxylic Acids. Thermochemical Measurements and ab Initio Calculations,
J. Phys. Chem. A, 2008, 112, 17, 4036-4045, https://doi.org/10.1021/jp7115033
. [all data]
Ashes and Haken, 1975
Ashes, J.R.; Haken, J.K.,
Gas chromatography of homologous esters. IX. Structure-retention increments of unsaturated esters,
J. Chromatogr., 1975, 111, 1, 171-187, https://doi.org/10.1016/S0021-9673(01)80159-X
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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