DL-Phenylalanine


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
Δfsolid-110.09 ± 0.61kcal/molCcbBreitenbach, Derkosch, et al., 1952Reanalyzed by Cox and Pilcher, 1970, Original value = -109.7 kcal/mol
Quantity Value Units Method Reference Comment
Δcsolid-1112.10 ± 0.60kcal/molCcbBreitenbach, Derkosch, et al., 1952Reanalyzed by Cox and Pilcher, 1970, Original value = -1112.3 kcal/mol
Δcsolid-1114.8kcal/molCcbFischer and Wrede, 1904Heat of combustion corrected for pressure

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: 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

Sodium ion (1+) + DL-Phenylalanine = (Sodium ion (1+) • DL-Phenylalanine)

By formula: Na+ + C9H11NO2 = (Na+ • C9H11NO2)

Quantity Value Units Method Reference Comment
Δr47.3 ± 3.0kcal/molIMREGapeev and Dunbar, 2003Anchor glycine=38.5+-2.5
Δr47.3kcal/molCIDCKish, Ohanessian, et al., 2003Anchor alanine=39.89

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:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)8.4eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.5PECampbell, Marzluff, et al., 1994LL
8.4PECannington and Ham, 1983LBLHLM
≤8.4PIAkopyan and Loginov, 1967RDSH
8.9PECampbell, Marzluff, et al., 1994Vertical value; LL
9.4PECannington and Ham, 1983Vertical value; LBLHLM

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+) + DL-Phenylalanine = (Sodium ion (1+) • DL-Phenylalanine)

By formula: Na+ + C9H11NO2 = (Na+ • C9H11NO2)

Quantity Value Units Method Reference Comment
Δr47.3 ± 3.0kcal/molIMREGapeev and Dunbar, 2003Anchor glycine=38.5+-2.5
Δr47.3kcal/molCIDCKish, Ohanessian, et al., 2003Anchor alanine=39.89

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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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- 741
NIST MS number 229437

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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.

Breitenbach, Derkosch, et al., 1952
Breitenbach, J.W.; Derkosch, J.; Wessely, F., Energetik der bildung hochmolekularer polypeptide, Monatsh. Chem., 1952, 83, 591. [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]

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]

Gapeev and Dunbar, 2003
Gapeev, A.; Dunbar, R.C., Na+ Affinities of Gas-Phase Amino Acids by Ligand Exchange Equilibrium, Int. J. Mass Spectrom., 2003, 228, 2-3, 825, https://doi.org/10.1016/S1387-3806(03)00242-2 . [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]

Campbell, Marzluff, et al., 1994
Campbell, S.; Marzluff, E.M.; Rodgers, M.T.; Beauchamp, J.L.; Rempe, M.E.; Schwinck, K.F.; Lichtenberger, D.L., Proton affinities and photoelectron spectra of phenylalanine and N-methyl and N,N-dimethylphenylalanine. Correlation of lone pair ionization energies with proton affinities and implications for N-methylation as a method to effect site specific protonation of peptides, J. Am. Chem. Soc., 1994, 116, 5257. [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]

Akopyan and Loginov, 1967
Akopyan, M.E.; Loginov, Yy.V., Mass-spectrometric study of the phoionization of free α-aminoacids, High Energy Chem., 1967, 1, 83, In original 97. [all data]


Notes

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