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Threonine


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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-185.54 ± 0.26kcal/molCcbWu, Zhu, et al., 1993 
Quantity Value Units Method Reference Comment
Deltacsolid-498.23 ± 0.26kcal/molCcbWu, Zhu, et al., 1993 
Deltacsolid-490.70 ± 0.20kcal/molCcbTsuzuki, Harper, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -490.9 ± 0.2 kcal/mol

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 by: 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

C4H8NO3- + Hydrogen cation = Threonine

By formula: C4H8NO3- + H+ = C4H9NO3

Quantity Value Units Method Reference Comment
Deltar331.7 ± 2.4kcal/molCIDCJones, Bernier, et al., 2007gas phase
Deltar332.0 ± 3.1kcal/molG+TSO'Hair, Bowie, et al., 1992gas phase
Quantity Value Units Method Reference Comment
Deltar325.2 ± 3.0kcal/molCIDCO'Hair, Bowie, et al., 1992gas phase

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)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity Value Units Method Reference Comment
Proton affinity (review)220.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity212.4kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
220.7Bojesen and Breindahl, 1994PA increased by 1.5 kcal/mol for referencing values to Hunter and Lias, 1998; MM

Ionization energy determinations

IE (eV) Method Reference Comment
<=10.2PECannington and Ham, 1983Vertical value; LBLHLM

De-protonation reactions

C4H8NO3- + Hydrogen cation = Threonine

By formula: C4H8NO3- + H+ = C4H9NO3

Quantity Value Units Method Reference Comment
Deltar331.7 ± 2.4kcal/molCIDCJones, Bernier, et al., 2007gas phase; B
Deltar332.0 ± 3.1kcal/molG+TSO'Hair, Bowie, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Deltar325.2 ± 3.0kcal/molCIDCO'Hair, Bowie, et al., 1992gas phase; B

Mass spectrum (electron ionization)

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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: 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 H.FR.GRUTZMACHER HAMBURG UNIV., HAMBURG, GERMANY, F.R.G.
NIST MS number 26149

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References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, Notes

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

Wu, Zhu, et al., 1993
Wu, D.; Zhu, Y.; Gao, Z.; Qu, S., Determination of combustion heat of some amino acids, Wuhan Daxue Xuebao Ziran Kexueban, 1993, 78-82. [all data]

Tsuzuki, Harper, et al., 1958
Tsuzuki, T.; Harper, D.O.; Hunt, H., Heats of combustion. VII. The heats of combustion of some amino acids, J. Phys. Chem., 1958, 62, 1594-1595. [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]

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]

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]

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]

Cannington and Ham, 1983
Cannington, P.H.; Ham, N.S., He(I) and He(II) photoelectron spectra of glycine and related molecules, J. Electron Spectrosc. Relat. Phenom., 1983, 32, 139. [all data]


Notes

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