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L-Asparagine

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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
Deltafsolid-789.02kJ/molCcbHuffman, Ellis, et al., 1936ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1928.5 ± 0.71kJ/molCcbHuffman, Ellis, et al., 1936ALS
Quantity Value Units Method Reference Comment
solid,1 bar174.5J/mol*KN/AHuffman and Borsook, 1932Extrapolation below 90 K, 49.79 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
159.8296.5Huffman and Borsook, 1932T = 85 to 297 K. Value is unsmoothed experimental datum.; DH

Reaction 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:
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C4H7N2O3- + Hydrogen cation = L-Asparagine

By formula: C4H7N2O3- + H+ = C4H8N2O3

Quantity Value Units Method Reference Comment
Deltar1385. ± 9.2kJ/molCIDCJones, Bernier, et al., 2007gas phase; B
Deltar1387. ± 13.kJ/molG+TSO'Hair, Bowie, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Deltar1356. ± 9.6kJ/molH-TSJones, Bernier, et al., 2007gas phase; B
Deltar1359. ± 13.kJ/molCIDCO'Hair, Bowie, et al., 1992gas phase; B

Sodium ion (1+) + L-Asparagine = (Sodium ion (1+) bullet L-Asparagine)

By formula: Na+ + C4H8N2O3 = (Na+ bullet C4H8N2O3)

Quantity Value Units Method Reference Comment
Deltar206.kJ/molCIDCKish, Ohanessian, et al., 2003Anchor alanine=39.89; RCD

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)

Quantity Value Units Method Reference Comment
Proton affinity (review)929.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity891.5kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
965.2 ± 5.2Bouchoux, Buisson, et al., 2004MM
937.6Bojesen and Breindahl, 1994PA increased by 2.0 kcal/mol for referencing values to Hunter and Lias, 1998; MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
920.0 ± 5.6Bouchoux, Buisson, et al., 2004MM

Protonation entropy at 298K

Protonation entropy (J/mol*K) Reference Comment
-43. ± 7.Bouchoux, Buisson, et al., 2004MM

De-protonation reactions

C4H7N2O3- + Hydrogen cation = L-Asparagine

By formula: C4H7N2O3- + H+ = C4H8N2O3

Quantity Value Units Method Reference Comment
Deltar1385. ± 9.2kJ/molCIDCJones, Bernier, et al., 2007gas phase; B
Deltar1387. ± 13.kJ/molG+TSO'Hair, Bowie, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Deltar1356. ± 9.6kJ/molH-TSJones, Bernier, et al., 2007gas phase; B
Deltar1359. ± 13.kJ/molCIDCO'Hair, Bowie, et al., 1992gas phase; B

Ion clustering 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 by: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Sodium ion (1+) + L-Asparagine = (Sodium ion (1+) bullet L-Asparagine)

By formula: Na+ + C4H8N2O3 = (Na+ bullet C4H8N2O3)

Quantity Value Units Method Reference Comment
Deltar206.kJ/molCIDCKish, Ohanessian, et al., 2003Anchor alanine=39.89

IR Spectrum

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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 by: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 1805
Date Not specified, most likely prior to 1970
State SOLID (MINERAL OIL MULL)
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, 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-5052
NIST MS number 229288

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Saidel and Waldman, 1952
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 10583
Instrument Beckman DU
Melting point 234.5 dec

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]

Jones, Bernier, et al., 2007
Jones, C.M.; Bernier, M.; Carson, E.; Colyer, K.E.; Metz, R.; Pawlow, A.; Wischow, E.D.; Webb, I.; Andriole, E.J.; Poutsma, J.C., Gas-phase Acities of the 20 Protein Amino Acids, Int. J. Mass Spectrom., 2007, 267, 1-3, 54-62, https://doi.org/10.1016/j.ijms.2007.02.018 . [all data]

O'Hair, Bowie, et al., 1992
O'Hair, R.J.; Bowie, J.H.; Gronert, S., Gas Phase Acidity of the alpha-Amino Acids, Int. J. Mass Spectrom. Ion Proc., 1992, 117, 23, https://doi.org/10.1016/0168-1176(92)80083-D . [all data]

Kish, Ohanessian, et al., 2003
Kish, M.M.; Ohanessian, G.; Wesdemiotis, C., The Na+ affinities of a-amino acids: side-chain substituent effects, Int. J. Mass Spectrom., 2003, 227, 3, 509, https://doi.org/10.1016/S1387-3806(03)00082-4 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Bouchoux, Buisson, et al., 2004
Bouchoux, G.; Buisson, D.A.; Colas, C.; Sablier, M., Protonation thermochemistry of alpha-amino acids bearing a basic residue, European J. Mass Spectrom., 2004, 10, 977. [all data]

Bojesen and Breindahl, 1994
Bojesen, G.; Breindahl, T., On the Proton Affinity od Some Alpha-Amino Acids and the Theory of the Kinetic Method., J. Chem. Soc. Perkin 2, 1994, 1029. [all data]

Saidel and Waldman, 1952
Saidel, L.J.; Waldman, S., J. Biol. Chem., 1952, 197, 285. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References