CH3CONHCH(CH3)COOCH3


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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - 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

(MeCO2 anion • CH3CONHCH(CH3)COOCH3) + Water = (MeCO2 anion • Water • CH3CONHCH(CH3)COOCH3)

By formula: (C2H3O2- • C6H11NO3) + H2O = (C2H3O2- • H2O • C6H11NO3)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr55.2kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr106.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

CH3CONHCH(CH3)COOCH3 + Methyl Alcohol = (CH3CONHCH(CH3)COOCH3 • Methyl Alcohol)

By formula: C6H11NO3 + CH4O = (C6H11NO3 • CH4O)

Quantity Value Units Method Reference Comment
Δr75.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

Free energy of reaction

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

HS- + CH3CONHCH(CH3)COOCH3 = (HS- • CH3CONHCH(CH3)COOCH3)

By formula: HS- + C6H11NO3 = (HS- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr115. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr80.3 ± 8.4kJ/molTDAsMeot-ner, 1988gas phase; B

Chlorine anion + CH3CONHCH(CH3)COOCH3 = (Chlorine anion • CH3CONHCH(CH3)COOCH3)

By formula: Cl- + C6H11NO3 = (Cl- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr123. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr87.4 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

MeCO2 anion + CH3CONHCH(CH3)COOCH3 = (MeCO2 anion • CH3CONHCH(CH3)COOCH3)

By formula: C2H3O2- + C6H11NO3 = (C2H3O2- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr131. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr86.6 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

CN- + CH3CONHCH(CH3)COOCH3 = (CN- • CH3CONHCH(CH3)COOCH3)

By formula: CN- + C6H11NO3 = (CN- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr110. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr74.5 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

(CH3CONHCH(CH3)COOCH3 • Water) + Water = (CH3CONHCH(CH3)COOCH3 • 2Water)

By formula: (C6H11NO3 • H2O) + H2O = (C6H11NO3 • 2H2O)

Quantity Value Units Method Reference Comment
Δr54.4kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr82.8J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

CH3CONHCH(CH3)COOCH3 + L-Alanine, N-acetyl-, methyl ester = (CH3CONHCH(CH3)COOCH3 • L-Alanine, N-acetyl-, methyl ester)

By formula: C6H11NO3 + C6H11NO3 = (C6H11NO3 • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr118.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr169.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

CH3CONHCH(CH3)COOCH3 + Water = (CH3CONHCH(CH3)COOCH3 • Water)

By formula: C6H11NO3 + H2O = (C6H11NO3 • H2O)

Quantity Value Units Method Reference Comment
Δr63.6kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr87.4J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

CH3CONHCH(CH3)COOCH3 + Pyrrole = (CH3CONHCH(CH3)COOCH3 • Pyrrole)

By formula: C6H11NO3 + C4H5N = (C6H11NO3 • C4H5N)

Quantity Value Units Method Reference Comment
Δr100.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr134.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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 by: Edward P. Hunter and Sharon G. Lias

Quantity Value Units Method Reference Comment
Proton affinity (review)938.6kJ/molN/AHunter and Lias, 1998 
Quantity Value Units Method Reference Comment
Gas basicity888.0kJ/molN/AHunter and Lias, 1998 

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 by: John E. Bartmess

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

CN- + CH3CONHCH(CH3)COOCH3 = (CN- • CH3CONHCH(CH3)COOCH3)

By formula: CN- + C6H11NO3 = (CN- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr110. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr74.5 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase

MeCO2 anion + CH3CONHCH(CH3)COOCH3 = (MeCO2 anion • CH3CONHCH(CH3)COOCH3)

By formula: C2H3O2- + C6H11NO3 = (C2H3O2- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr131. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr86.6 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase

Chlorine anion + CH3CONHCH(CH3)COOCH3 = (Chlorine anion • CH3CONHCH(CH3)COOCH3)

By formula: Cl- + C6H11NO3 = (Cl- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr123. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr87.4 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase

HS- + CH3CONHCH(CH3)COOCH3 = (HS- • CH3CONHCH(CH3)COOCH3)

By formula: HS- + C6H11NO3 = (HS- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr115. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr80.3 ± 8.4kJ/molTDAsMeot-ner, 1988gas phase

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 (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, 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]

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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References