Valine

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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
Δfsolid-150.3 ± 0.45kcal/molCcbVasil'ev, Borodin, et al., 1991ALS
Δfsolid-147.7kcal/molCcbHutchens, Cole, et al., 1963ALS
Quantity Value Units Method Reference Comment
Δcsolid-695.67 ± 0.45kcal/molCcbVasil'ev, Borodin, et al., 1991ALS
Δcsolid-697.93 ± 0.13kcal/molCcbTsuzuki and Hunt, 1957ALS
Quantity Value Units Method Reference Comment
solid,1 bar42.751cal/mol*KN/AHutchens, Cole, et al., 1963DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
40.27298.15Spink and Wads, 1975DH
40.349298.15Hutchens, Cole, et al., 1963T = 11 to 310 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
38.9 ± 0.2455.VSvec and Clyde, 1965ALS
39. ± 2.455.MESvec and Clyde, 1965, 2See also Clyde and Svec, 1964 and Chiarelli and Gross, 1989.; AC

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)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)217.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity209.5kcal/molN/AHunter and Lias, 1998HL

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
208.6 ± 0.7Wu and Lebrilla, 1995T = 300K; MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.71PEKlasinc, 1976LLK

De-protonation reactions

C5H10NO2- + Hydrogen cation = Valine

By formula: C5H10NO2- + H+ = C5H11NO2

Quantity Value Units Method Reference Comment
Δr342.0 ± 1.9kcal/molCIDCJones, Bernier, et al., 2007gas phase; B
Δr339.3 ± 3.1kcal/molG+TSO'Hair, Bowie, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr332.5 ± 3.0kcal/molCIDCO'Hair, Bowie, et al., 1992gas phase; B

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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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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 26146

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References

Go To: Top, Condensed phase thermochemistry data, Phase change 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.

Vasil'ev, Borodin, et al., 1991
Vasil'ev, V.P.; Borodin, V.A.; Kopnyshev, S.B., Calculation of the standard enthalpies of combustion and of formation of crystalline organic acids and complexones from the energy contributions of atomic groups, Russ. J. Phys. Chem. (Engl. Transl.), 1991, 65, 29-32. [all data]

Hutchens, Cole, et al., 1963
Hutchens, J.O.; Cole, A.G.; Stout, J.W., Heat capacities from 11 to 305°K., entropies, and free energies of formation of L-valine, L-isoleucine, and L-leucine, J. Phys. Chem., 1963, 67, 1128-1130. [all data]

Tsuzuki and Hunt, 1957
Tsuzuki, T.; Hunt, H., Heats of combustion. VI. The heats of combustion of some amino acids, J. Phys. Chem., 1957, 61, 1668. [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]

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

Chiarelli and Gross, 1989
Chiarelli, M. Paul.; Gross, Michael L., Amino acid and tripeptide mixture analysis by laser desorption Fourier-transform mass spectrometry, Anal. Chem., 1989, 61, 17, 1895-1900, https://doi.org/10.1021/ac00192a023 . [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]

Wu and Lebrilla, 1995
Wu, J.; Lebrilla, C.B., Intrinsic Basicity of Oligomeric Peptides that Contain Glycine, Alanine, and Valine - The Effects of the Alkyl Side Chain on Proton Transfer Reactions, J. Am. Soc. Mass Spectrom., 1995, 6, 91. [all data]

Klasinc, 1976
Klasinc, L., Application of photoelectron spectroscopy to biologically active molecules and their constituent parts, J. Electron Spectrosc. Relat. Phenom., 1976, 8, 161. [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]


Notes

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