β-Alanine
- Formula: C3H7NO2
- Molecular weight: 89.0932
- IUPAC Standard InChI: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
- IUPAC Standard InChIKey: UCMIRNVEIXFBKS-UHFFFAOYSA-N
- CAS Registry Number: 107-95-9
- 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. - Species with the same structure:
- Other names: β-Aminopropionic acid; Abufene; Alanine, beta-; Propanoic acid, 3-amino-; 3-Aminopropanoic acid; 3-Aminopropionic acid; ω-Aminopropionic acid; 2-Carboxyethylamine; NSC 7603; Beta-alanine
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Condensed phase thermochemistry data
Go To: Top, References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -130.8 ± 0.26 | kcal/mol | Ccb | Gerasimov, Geidarova, et al., 1988 | Uc =-18318.1±12.6 kJ/mol; ALS |
| ΔfH°solid | -74.1 ± 0.36 | kcal/mol | Ccb | Contineanu and Marchidan, 1984 | ALS |
| ΔfH°solid | -133.37 ± 0.074 | kcal/mol | Ccb | Skoulika and Sabbah, 1983 | see Skoulika and Sabbah, 1982; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -447.2 ± 0.36 | kcal/mol | Ccb | Contineanu and Marchidan, 1984 | ALS |
| ΔcH°solid | -387.88 ± 0.055 | kcal/mol | Ccb | Skoulika and Sabbah, 1983 | see Skoulika and Sabbah, 1982; ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 26.1 | 298. | Badelin, Kulikov, et al., 1990 | T = 298, 313, 333, 348 K.; DH |
| 26.12 | 298. | Kulikov, Kozlov, et al., 1989 | T = 298 to 348 K.; DH |
| 27.82 | 298. | Skoulika and Sabbah, 1983 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gerasimov, Geidarova, et al., 1988
Gerasimov, P.A.; Geidarova, E.L.; Gubareva, A.I.; Beregovykh, V.V.; Danilov, I.S.,
Energetic and transport properties of β-alanine,
Khim.-Farm. Zh., 1988, 22, 1149-1150. [all data]
Contineanu and Marchidan, 1984
Contineanu, I.; Marchidan, D.I.,
The enthalpies of combustion and formation of D-alanine, L-alanine, DL-alanine, and β-alanine,
Rev. Roum. Chim., 1984, 29, 43-48. [all data]
Skoulika and Sabbah, 1983
Skoulika, S.; Sabbah, R.,
Thermodynamique de composes azotes X. Etude thermochimique de quelques acides ω-amines,
Thermochim. Acta, 1983, 61, 203-214. [all data]
Skoulika and Sabbah, 1982
Skoulika, S.; Sabbah, R.,
Enthalpy of formation of some ω-amino acids in the solid state,
C. R. Seances Acad. Sci., Ser. 2, 1982, 295, 657-660. [all data]
Badelin, Kulikov, et al., 1990
Badelin, V.G.; Kulikov, O.V.; Batagin, V.S.; Udzig, E.; Zielenkiewicz, A.; Zielenkiewicz, W.; Krestov, G.A.,
Physico-chemical properties of peptides and their solutions,
Thermochim. Acta, 1990, 169, 81-93. [all data]
Kulikov, Kozlov, et al., 1989
Kulikov, O.V.; Kozlov, V.A.; Malenkina, L.I.; Badelin, V.G.,
Heat capacities of amino acids and peptides and excess characteristics ot their aqueous solutions, Sbornik Nauch. Trud., Termodin. Rast. neelect., Ivanovo,
Inst. nevod. rast., 1989, Akad. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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