Acetamide, N-methyl-

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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - 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

MeCO2 anion + Acetamide, N-methyl- = (MeCO2 anion • Acetamide, N-methyl-)

By formula: C2H3O2- + C3H7NO = (C2H3O2- • C3H7NO)

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Δr106. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr115.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr72.0 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

pyrrolide anion + Acetamide, N-methyl- = (pyrrolide anion • Acetamide, N-methyl-)

By formula: C4H4N- + C3H7NO = (C4H4N- • C3H7NO)

Quantity Value Units Method Reference Comment
Δr110.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
49.8497.PHPMSMeot-Ner (Mautner), 1988gas phase; M

C3H6NO- + Acetamide, N-methyl- = (C3H6NO- • Acetamide, N-methyl-)

By formula: C3H6NO- + C3H7NO = (C3H6NO- • C3H7NO)

Quantity Value Units Method Reference Comment
Δr110.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
52.3497.PHPMSMeot-Ner (Mautner), 1988gas phase; M

(MeCO2 anion • Acetamide, N-methyl-) + Acetamide, N-methyl- = (MeCO2 anion • 2Acetamide, N-methyl-)

By formula: (C2H3O2- • C3H7NO) + C3H7NO = (C2H3O2- • 2C3H7NO)

Bond type: Hydrogen bonds of deprotonated acids to amides

Quantity Value Units Method Reference Comment
Δr73.6kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr91.2J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

C3H8NO+ + Acetamide, N-methyl- = (C3H8NO+ • Acetamide, N-methyl-)

By formula: C3H8NO+ + C3H7NO = (C3H8NO+ • C3H7NO)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Δr125.kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr98.7J/mol*KPHPMSMeot-Ner, 1984gas phase; M

C3H6NO- + Hydrogen cation = Acetamide, N-methyl-

By formula: C3H6NO- + H+ = C3H7NO

Quantity Value Units Method Reference Comment
Δr1514. ± 9.2kJ/molG+TSDecouzon, Exner, et al., 1990gas phase; B
Quantity Value Units Method Reference Comment
Δr1483. ± 8.4kJ/molIMREDecouzon, Exner, et al., 1990gas phase; B

Lithium ion (1+) + Acetamide, N-methyl- = (Lithium ion (1+) • Acetamide, N-methyl-)

By formula: Li+ + C3H7NO = (Li+ • C3H7NO)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
173.373.CIDT,ICRHerreros, Gal, et al., 1999RCD

Sodium ion (1+) + Acetamide, N-methyl- = (Sodium ion (1+) • Acetamide, N-methyl-)

By formula: Na+ + C3H7NO = (Na+ • C3H7NO)

Quantity Value Units Method Reference Comment
Δr149.kJ/molCIDTKlassen, Anderson, et al., 1996RCD

Potassium ion (1+) + Acetamide, N-methyl- = (Potassium ion (1+) • Acetamide, N-methyl-)

By formula: K+ + C3H7NO = (K+ • C3H7NO)

Quantity Value Units Method Reference Comment
Δr127.kJ/molCIDTKlassen, Anderson, et al., 1996RCD

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


References

Go To: Top, Reaction thermochemistry data, IR Spectrum, Notes

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

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Meot-Ner (Mautner), 1988
Meot-Ner (Mautner), M., Models for Strong Interactions in Proteins and Enzymes. 2. Interactions of Ions with the Peptide Link and Imidazole, J. Am. Chem. Soc., 1988, 110, 10, 3075, https://doi.org/10.1021/ja00218a014 . [all data]

Meot-Ner, 1984
Meot-Ner, (Mautner), The Ionic Hydrogen Bond. 4. Intramolecular and Multiple Bonds. Proton Affinities, Hydration and Complexes of Amides and Amino Acid Derivatives, J. Am. Chem. Soc., 1984, 106, 2, 278, https://doi.org/10.1021/ja00314a003 . [all data]

Decouzon, Exner, et al., 1990
Decouzon, M.; Exner, O.; Gal, J.-F.; Maria, P.-C., The Gas-Phase Acidity and the Acidic Site of Acetohydroxamic Acid: an FT-ICR Study, J. Org. Chem., 1990, 55, 13, 3980, https://doi.org/10.1021/jo00300a007 . [all data]

Herreros, Gal, et al., 1999
Herreros, M.; Gal, J.-F.; Maria, P.-C.; Decouzon, M., Gas-Phase Basicity of Simple Amides Toward Proton and Lithium Cation: An Experimental and Theoretical Study, Eur. J. Mass Spectrom., 1999, 5, 1, 259, https://doi.org/10.1255/ejms.282 . [all data]

Klassen, Anderson, et al., 1996
Klassen, J.S.; Anderson, S.G.; Blades, A.T.; Kebarle, P., Reaction Enthalpies for M+L = M+ + L, Where M+ = Na+ and K+ and L = Acetamide, N-Methylacetamide, N,N-Dimethylacetamide, Glycine, and Glycylglycine, from Determinations of the Collision-Induced Dissociation Thresholds, J. Phys. Chem., 1996, 100, 33, 14218, https://doi.org/10.1021/jp9608382 . [all data]


Notes

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