Acetamide, N-methyl-

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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 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering 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
Δr25.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.4cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr17.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(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
Δr17.6kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KPHPMSMeot-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
Δr27.kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr30.cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
12.5497.PHPMSMeot-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
Δr29.8kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr27.kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr30.cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.9497.PHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr30.4kcal/molCIDTKlassen, Anderson, et al., 1996RCD

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

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

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
41.4373.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
Δr35.7kcal/molCIDTKlassen, Anderson, et al., 1996RCD

References

Go To: Top, Ion clustering data, 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]

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]

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]


Notes

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