dl-Alanine
- Formula: C3H7NO2
- Molecular weight: 89.0932
- IUPAC Standard InChIKey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N
- CAS Registry Number: 302-72-7
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: (.+/-.)-Alanine; dl-α-Aminopropionic acid; dl-2-Aminopropanoic acid; Alanine, DL-; ALANINE, α; DL-α-Alanine
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Condensed phase thermochemistry data
Go To: Top, 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 | -138.37 ± 0.68 | kcal/mol | Ccb | Contineanu and Marchidan, 1984 | ALS |
ΔfH°solid | -134.71 ± 0.14 | kcal/mol | Ccb | Huffman, Fox, et al., 1937 | Author's hf298=-135.26 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -382.9 ± 0.68 | kcal/mol | Ccb | Contineanu and Marchidan, 1984 | ALS |
ΔcH°solid | -386.55 ± 0.14 | kcal/mol | Ccb | Huffman, Fox, et al., 1937 | Author's hf298=-135.26 kcal/mol; ALS |
ΔcH°solid | -388.00 ± 0.05 | kcal/mol | Ccb | Wrede, 1911 | ALS |
ΔcH°solid | -390.45 | kcal/mol | Ccb | Fischer and Wrede, 1904 | Heat of combustion corrected for pressure; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 31.60 | cal/mol*K | N/A | Huffman and Ellis, 1937 | Extrapolation below 90 K, 36.99 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.2 | 298. | Badelin, Kulikov, et al., 1990 | T = 298, 313, 333, 348 K.; DH |
27.20 | 298. | Kulikov, Kozlov, et al., 1989 | T = 298 to 348 K.; DH |
29.06 | 298.15 | Spink and Wads, 1975 | DH |
29.089 | 297.5 | Huffman and Ellis, 1937 | T = 85 to 298 K. Value is unsmoothed experimental datum.; DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry 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
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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- 284 |
NIST MS number | 228479 |
References
Go To: Top, Condensed phase thermochemistry 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.
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]
Huffman, Fox, et al., 1937
Huffman, H.M.; Fox, S.W.; Ellis, E.L.,
Thermal data. VII. The heats of combustion of seven amino acids,
J. Am. Chem. Soc., 1937, 59, 2144-21. [all data]
Wrede, 1911
Wrede, F.,
Uber die Bestimmung von Berbrennungswarmen mittels der kalorimetrischen Bombe unter Benutzung des Platinwiderstandsthermometers,
Z. Phys. Chem. (Leipzig), 1911, 81-94. [all data]
Fischer and Wrede, 1904
Fischer, E.; Wrede, F.,
Uber die Verbrennungswarme einiger organischer Verbindungen,
Sitzungsber. Dtsch. Akad. Wiss. Berlin Kl. Math. Phys. Tech., 1904, 687-715. [all data]
Huffman and Ellis, 1937
Huffman, H.M.; Ellis, E.L.,
Thermal data. VIII. The heat capacities, entropies and free energies of some amino acids,
J. Am. Chem. Soc., 1937, 59, 2150-2152. [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]
Spink and Wads, 1975
Spink, C.H.; Wads, I.,
Thermochemistry of solutions of biochemical model compounds. 4. The partial molar heat capacities of some amino acids in aqueous solution,
J. Chem. Thermodynam., 1975, 7, 561-572. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) 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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