β-Alanine
- Formula: C3H7NO2
- Molecular weight: 89.0932
- 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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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 | -101. ± 0.5 | kcal/mol | Ccb | Skoulika and Sabbah, 1983 | see Skoulika and Sabbah, 1982 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 32.0 ± 0.5 | kcal/mol | C | Skoulika and Sabbah, 1983 | see Skoulika and Sabbah, 1982; ALS |
ΔsubH° | 32.0 ± 0.5 | kcal/mol | C | Skoulika and Sabbah, 1983 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
31.8 ± 0.2 | 393. | C | Skoulika and Sabbah, 1983 | Based on data from 384. to 402. K.; AC |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-8145 |
NIST MS number | 228083 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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