Phenylalanine

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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
Δcsolid-1110.5 ± 0.2kcal/molCcbTsuzuki, Harper, et al., 1958ALS
Δcsolid-1115.5kcal/molCcbLemoult, 1904ALS
Quantity Value Units Method Reference Comment
solid,1 bar51.061cal/mol*KN/ACole, Hutchens, et al., 1963DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
48.54298.15Spink and Wads, 1975DH
48.521298.15Cole, Hutchens, et al., 1963T = 11 to 305 K.; DH

Phase change 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
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
36.8 ± 0.2455.VSvec and Clyde, 1965ALS
37. ± 2.455.MESvec and Clyde, 1965, 2See also Cox and Pilcher, 1970, Stephenson and Malanowski, 1987, and Clyde and Svec, 1964.; AC

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

C9H10NO2- + Hydrogen cation = Phenylalanine

By formula: C9H10NO2- + H+ = C9H11NO2

Quantity Value Units Method Reference Comment
Δr338.9 ± 4.3kcal/molCIDCJones, Bernier, et al., 2007gas phase
Δr336.5 ± 3.1kcal/molG+TSO'Hair, Bowie, et al., 1992gas phase
Quantity Value Units Method Reference Comment
Δr329.6 ± 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

Quantity Value Units Method Reference Comment
Proton affinity (review)220.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity212.5kcal/molN/AHunter and Lias, 1998HL

De-protonation reactions

C9H10NO2- + Hydrogen cation = Phenylalanine

By formula: C9H10NO2- + H+ = C9H11NO2

Quantity Value Units Method Reference Comment
Δr338.9 ± 4.3kcal/molCIDCJones, Bernier, et al., 2007gas phase; B
Δr336.5 ± 3.1kcal/molG+TSO'Hair, Bowie, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr329.6 ± 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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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 N.W. Davies, Centr. Sci. Lab., Univ. Tasmania, Hobart, Australia
NIST MS number 107173

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.

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]

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

Cole, Hutchens, et al., 1963
Cole, A.G.; Hutchens, J.O.; Stout, J.W., Heat capacities from 11 to 305°K. and entropies of L-phenylalanine, L-proline, L-tryptophane, and L-tyrosine. Some free energies of formation, J. Phys. Chem., 1963, 67, 1852-1855. [all data]

Spink and Wads, 1975
Spink, C.H.; Wads, I., Thermochemistry of solutions of biochemical model compounds. 4. The partial molar heat capacities of some amino acids in aqueous solution, J. Chem. Thermodynam., 1975, 7, 561-572. [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, 151. [all data]

Svec and Clyde, 1965, 2
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
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [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]

Clyde and Svec, 1964
Clyde, D.D.; Svec, H., , U. S. Atomic Energy Comm. IS-790, 1964, 1. [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]


Notes

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