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N-Glycylglycine

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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-747.7 ± 1.3kJ/molCcbDiaz, Domalski, et al., 1992ALS
Deltafsolid-747.68 ± 0.63kJ/molCcbHuffman, 1942Heat of combustion corrected for pressure; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1969.7 ± 1.3kJ/molCcbDiaz, Domalski, et al., 1992ALS
Deltacsolid-1969.7 ± 0.54kJ/molCcbHuffman, 1942Heat of combustion corrected for pressure; ALS
Deltacsolid-1978.kJ/molCcbFischer and Wrede, 1904Heat of combustion corrected for pressure; ALS
Deltacsolid-1974.0kJ/molCcbLemoult, 1904ALS
Quantity Value Units Method Reference Comment
solid,1 bar180.3J/mol*KN/AHutchens, Cole, et al., 1969DH
solid,1 bar190.0J/mol*KN/AHuffman, 1941Extrapolation below 90 K, 56.90 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
149.298.Badelin, Kulikov, et al., 1990T = 298, 313, 333, 348 K.; DH
149.0298.Kulikov, Kozlov, et al., 1989T = 298 to 348 K.; DH
163.97298.15Hutchens, Cole, et al., 1969T = 11 to 305 K.; DH
161.80293.9Huffman, 1941T = 87 to 294 K. Value is unsmoothed experimental datum.; DH

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Ion clustering 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:
RCD - Robert C. Dunbar
B - John E. Bartmess

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

Sodium ion (1+) + N-Glycylglycine = (Sodium ion (1+) bullet N-Glycylglycine)

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

Quantity Value Units Method Reference Comment
Deltar177. ± 7.1kJ/molCIDCCerda, Hoyau, et al., 1998See amide; RCD
Deltar179.kJ/molCIDTKlassen, Anderson, et al., 1996RCD

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
143.0.CIDCFeng, Gronert, et al., 1999RCD

CAS Reg. No. 23372-53-4 + N-Glycylglycine = C8H15N4O6-

By formula: CAS Reg. No. 23372-53-4 + C4H8N2O3 = C8H15N4O6-

Quantity Value Units Method Reference Comment
Deltar31.4 ± 1.3kJ/molTDEqLiu, Wyttenbacj, et al., 2004gas phase; B
Quantity Value Units Method Reference Comment
Deltar13.1kJ/molTDEqLiu, Wyttenbacj, et al., 2004gas phase; B

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering 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 evaluated by: Edward P. Hunter and Sharon G. Lias

Quantity Value Units Method Reference Comment
Gas basicity882.kJ/molN/AHunter and Lias, 1998 

Ion clustering data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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: 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+) + N-Glycylglycine = (Sodium ion (1+) bullet N-Glycylglycine)

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

Quantity Value Units Method Reference Comment
Deltar177. ± 7.1kJ/molCIDCCerda, Hoyau, et al., 1998See amide
Deltar179.kJ/molCIDTKlassen, Anderson, et al., 1996 

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference
143.0.CIDCFeng, Gronert, et al., 1999

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 Chemical Concepts
NIST MS number 220986

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References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

Diaz, Domalski, et al., 1992
Diaz, E.L.; Domalski, E.S.; Colbert, J.C., Enthalpies of combustion of glycylglycine and DL-alanyl-DL-alamine, J. Chem. Thermodyn., 1992, 24, 1311-1318. [all data]

Huffman, 1942
Huffman, H.M., Thermal data. XV. The heats of combustion and free energies of some compounds containing the peptide bond, J. Phys. Chem., 1942, 46, 885-891. [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]

Lemoult, 1904
Lemoult, M.P., Remarques sur une serie recenie de determinations calorimetriques, Compt. Rend., 1904, 663-635. [all data]

Hutchens, Cole, et al., 1969
Hutchens, J.O.; Cole, A.G.; Stout, J.W., Heat capacities from 11 to 305°K, entropies and free energy of formation of glycylglycine, J. Biol. Chem., 1969, 244, 33-35. [all data]

Huffman, 1941
Huffman, H.M., Thermal data. XIV. The heat capacities and entropies of some compounds having the peptide bond, J. Am. Chem. Soc., 1941, 63, 688-689. [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]

Cerda, Hoyau, et al., 1998
Cerda, B.A.; Hoyau, S.; Ohanessian, G.; Wesdemiotis, C., PAs of Peptides, J. Am. Chem. Soc., 1998, 120, 2437. [all data]

Klassen, Anderson, et al., 1996
Klassen, J.S.; Anderson, S.G.; Blades, A.T.; Kebarle, P., Reaction Enthalpies for M+L = M+ + L, Where M+ = Na+ and K+ and L = Acetamide, N-Methylacetamide, N,N-Dimethylacetamide, Glycine, and Glycylglycine, from Determinations of the Collision-Induced Dissociation Thresholds, J. Phys. Chem., 1996, 100, 33, 14218, https://doi.org/10.1021/jp9608382 . [all data]

Feng, Gronert, et al., 1999
Feng, W.Y.; Gronert, S.; Lebrilla, C.B., Lithium and sodium ion binding energies of N-acetyl and N-glycyl amino acids, J. Am. Chem. Soc., 1999, 121, 6, 1365, https://doi.org/10.1021/ja983116s . [all data]

Liu, Wyttenbacj, et al., 2004
Liu, D.; Wyttenbacj, T.; Carpenter, C.J.; Bowers, M.T., Investigation of Non-Covalent Interactions in Deprotonated Peptides: Structural and Energetic Competition between Aggregation and Hydration, J. Am. Chem. Soc., 2004, 126, 10, 3261, https://doi.org/10.1021/ja0393628 . [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]


Notes

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