D-Alanine

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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 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
Δfsolid-145. ± 0.83kcal/molCcbContineanu and Marchidan, 1984Author was aware that data differs from previously reported values; ALS
Δfsolid-134.14 ± 0.14kcal/molCcbHuffman, Ellis, et al., 1936Reanalyzed by Cox and Pilcher, 1970, Original value = -134.81 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-376.7 ± 0.83kcal/molCcbContineanu and Marchidan, 1984Author was aware that data differs from previously reported values; ALS
Δcsolid-387.10 ± 0.13kcal/molCcbHuffman, Ellis, et al., 1936ALS
Δcsolid-391.95kcal/molCcbEmery and Benedict, 1911ALS
Δcsolid-387.91 ± 0.05kcal/molCcbWrede, 1911ALS
Quantity Value Units Method Reference Comment
solid,1 bar31.60cal/mol*KN/AHuffman and Borsook, 1932Extrapolation below 90 K, 37.15 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
28.87296.8Huffman and Borsook, 1932T = 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 (kcal/mol) Temperature (K) Method Reference Comment
31.74417.AStephenson and Malanowski, 1987Based on data from 407. to 426. K.
33. ± 2.461.MESvec and Clyde, 1965Based 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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Mass 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- 240
NIST MS number 228450

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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