D-Alanine
- Formula: C3H7NO2
- Molecular weight: 89.0932
- IUPAC Standard InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
- CAS Registry Number: 338-69-2
- 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. - Stereoisomers:
- Other names: D-α-Alanine; D-(-)-Alanine; Alanine, D-; Ba 2776; D(-)-α-Alanine
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Condensed phase thermochemistry data
Go To: Top, 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 | -605. ± 3.5 | kJ/mol | Ccb | Contineanu and Marchidan, 1984 | Author was aware that data differs from previously reported values; ALS |
ΔfH°solid | -561.24 ± 0.59 | kJ/mol | Ccb | Huffman, Ellis, et al., 1936 | Reanalyzed by Cox and Pilcher, 1970, Original value = -564.05 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1576. ± 3.5 | kJ/mol | Ccb | Contineanu and Marchidan, 1984 | Author was aware that data differs from previously reported values; ALS |
ΔcH°solid | -1619.6 ± 0.54 | kJ/mol | Ccb | Huffman, Ellis, et al., 1936 | ALS |
ΔcH°solid | -1639.9 | kJ/mol | Ccb | Emery and Benedict, 1911 | ALS |
ΔcH°solid | -1623.0 ± 0.2 | kJ/mol | Ccb | Wrede, 1911 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 132.2 | J/mol*K | N/A | Huffman and Borsook, 1932 | Extrapolation below 90 K, 37.15 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
120.8 | 296.8 | Huffman and Borsook, 1932 | T = 84 to 297 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, 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 by: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
132.8 | 417. | A | Stephenson and Malanowski, 1987 | Based on data from 407. to 426. K. |
138. ± 8. | 461. | ME | Svec and Clyde, 1965 | Based on data from 453. to 469. K. See also Cox and Pilcher, 1970, 2, Clyde and Svec, 1964, and Chiarelli and Gross, 1989. |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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- 240 |
NIST MS number | 228450 |
References
Go To: Top, 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.
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, Ellis, et al., 1936
Huffman, H.M.; Ellis, E.L.; Fox, S.W.,
Thermal data. VI. The heats of combustion and free energies of seven organic compounds containing nitrogen,
J. Am. Chem. Soc., 1936, 58, 1728-1733. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Emery and Benedict, 1911
Emery, A.G.; Benedict, F.G.,
The heat of combustion of compounds of physiological importance,
Am. J. Physiol., 1911, 28, 301-307. [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]
Huffman and Borsook, 1932
Huffman, H.M.; Borsook, H.,
Thermal data. I. The heat capacities, entropies and free energies of seven organic compounds containing nitrogen,
J. Am. Chem. Soc., 1932, 54, 4297-4301. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Svec and Clyde, 1965
Svec, H.J.; Clyde, D.D.,
Vapor Pressures of Some α-Amino Acids.,
J. Chem. Eng. Data, 1965, 10, 2, 151-152, https://doi.org/10.1021/je60025a024
. [all data]
Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]
Clyde and Svec, 1964
Clyde, D.D.; Svec, H.,
, U. S. Atomic Energy Comm. IS-790, 1964, 1. [all data]
Chiarelli and Gross, 1989
Chiarelli, M. Paul.; Gross, Michael L.,
Amino acid and tripeptide mixture analysis by laser desorption Fourier-transform mass spectrometry,
Anal. Chem., 1989, 61, 17, 1895-1900, https://doi.org/10.1021/ac00192a023
. [all data]
Notes
Go To: Top, 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 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 ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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