Crotonic acid
- Formula: C4H6O2
- Molecular weight: 86.0892
- IUPAC Standard InChI: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)
- IUPAC Standard InChIKey: LDHQCZJRKDOVOX-UHFFFAOYSA-N
- CAS Registry Number: 3724-65-0
- 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: 2-Butenoic acid; α-Butenoic acid; 3-Methylacrylic acid; CH3CH=CHCOOH; α-Crotonic acid; β-Methylacrylic acid; Acrylic acid, 3-methyl-; Kyselina krotonova; UN 2823; But-2-enoic acid; NSC 206946; 2-Butenoic acid, isomer # 2
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -88.07 ± 0.33 | kcal/mol | Ccb | Van-chin-syan, Kochubei, et al., 1996 |
Condensed phase 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -105.3 ± 0.31 | kcal/mol | Ccb | Van-chin-syan, Kochubei, et al., 1996 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -475.81 ± 0.24 | kcal/mol | Ccb | Van-chin-syan, Kochubei, et al., 1996 | Corresponding ΔfHºsolid = -105.3 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -477.8 | kcal/mol | Ccb | Swietoslawski and Starczewska, 1928 | Heat of combustion corrected for constant pressure; Corresponding ΔfHºsolid = -103.3 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 239.4 | K | N/A | Anonymous, 1955 | Uncertainty assigned by TRC = 0.6 K; TRC |
| Tfus | 345. | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 1.5 K; TRC |
| Tfus | 341. | K | N/A | Bruner, 1894 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 17.3 ± 0.1 | kcal/mol | C | Van-chin-syan, Kochubei, et al., 1996 | ALS |
| ΔsubH° | 17.3 | kcal/mol | N/A | Van-chin-syan, Kochubei, et al., 1996 | DRB |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Van-chin-syan, Kochubei, et al., 1996
Van-chin-syan, Yu.Ya.; Kochubei, V.V.; Sergeev, V.V.; Raevskii, Yu.A.; Gerasimchuk, S.I.; Kotovich, Kh.Z.,
Thermodynamic properties of some acids and aldehydes of the acrylic series,
Sov. J. Chem. Phys. (Engl. Transl.), 1996, 70, 1789-1794, In original 1932. [all data]
Swietoslawski and Starczewska, 1928
Swietoslawski, W.; Starczewska, H.,
Influence of certain corrections on the results of measurements of the heat of combustion of organic substances,
Bull. Int. Acad. Pol. Sci. Lett. Cl. Med., 1928, 85-97. [all data]
Anonymous, 1955
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 14, No. 1, Ohio State Univ., 1955. [all data]
Timmermans, 1935
Timmermans, J.,
Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds.,
Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]
Bruner, 1894
Bruner, L.,
The heats of fusion of some organic compounds,
Ber. Dtsch. Chem. Ges., 1894, 27, 2102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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