N-Methylglycine

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Gas 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
Δfgas-87.77 ± 0.25kcal/molCcbSabbah and Laffitte, 1978see Sabbah and Laffitte, 1978, 2

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-122.67 ± 0.062kcal/molCcbSabbah and Laffitte, 1977ALS
Δfsolid-121.56 ± 0.31kcal/molCcbBreitenbach, Derkosch, et al., 1952Reanalyzed by Cox and Pilcher, 1970, Original value = -121.2 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-398.587 ± 0.036kcal/molCcbSabbah and Laffitte, 1977ALS
Δcsolid-399.70 ± 0.30kcal/molCcbBreitenbach, Derkosch, et al., 1952Reanalyzed by Cox and Pilcher, 1970, Original value = -400.0 kcal/mol; ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
30.81298.15Sabbah and Laffitte, 1977DH

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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δsub34.9 ± 0.2kcal/molCSabbah and Laffite, 1978Based on data from 380. to 413. K.; AC
Δsub34.9 ± 0.2kcal/molCSabbah and Laffitte, 1978see Sabbah and Laffitte, 1978, 2; ALS

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

C3H6NO2- + Hydrogen cation = N-Methylglycine

By formula: C3H6NO2- + H+ = C3H7NO2

Quantity Value Units Method Reference Comment
Δr341.5 ± 2.1kcal/molG+TSLocke and McIver, 1983gas phase
Quantity Value Units Method Reference Comment
Δr334.6 ± 2.0kcal/molIMRELocke and McIver, 1983gas 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
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)220.2kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity212.4kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.4PECannington and Ham, 1983LBLHLM
9.2PECannington and Ham, 1983Vertical value; LBLHLM

De-protonation reactions

C3H6NO2- + Hydrogen cation = N-Methylglycine

By formula: C3H6NO2- + H+ = C3H7NO2

Quantity Value Units Method Reference Comment
Δr341.5 ± 2.1kcal/molG+TSLocke and McIver, 1983gas phase; B
Quantity Value Units Method Reference Comment
Δr334.6 ± 2.0kcal/molIMRELocke and McIver, 1983gas 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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291089

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References

Go To: Top, Gas phase thermochemistry data, 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.

Sabbah and Laffitte, 1978
Sabbah, R.; Laffitte, M., Thermodynamique de composes azotes. IV. Etude thermochimique de la sarcosine et de la L-proline, Bull. Soc. Chim. Fr., 1978, 1, 50-52. [all data]

Sabbah and Laffitte, 1978, 2
Sabbah, R.; Laffitte, M., Enthalpy of formation of L-serine in the solid state, Thermochim. Acta, 1978, 23, 192-195. [all data]

Sabbah and Laffitte, 1977
Sabbah, R.; Laffitte, M., The enthalpy of formation of sarcosine in the solid state, J. Chem. Thermodyn., 1977, 9, 1107-1108. [all data]

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]

Sabbah and Laffite, 1978
Sabbah, R.; Laffite, M., Bull. Soc. Chim. Fr., 1978, 1, 50. [all data]

Locke and McIver, 1983
Locke, M.J.; McIver, R.T., Jr., Effect of Solvation on the Acid/Base Properties of Glycine, J. Am. Chem. Soc., 1983, 105, 4226. [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]

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

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