L-Alanine, N-acetyl-, methyl ester


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

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Individual Reactions

Chlorine anion + L-Alanine, N-acetyl-, methyl ester = (Chlorine anion • L-Alanine, N-acetyl-, methyl ester)

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

Quantity Value Units Method Reference Comment
Δr123.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Δr123.kJ/molPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3
Quantity Value Units Method Reference Comment
Δr118.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Δr118.J/mol*KPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3

(Chlorine anion • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (Chlorine anion • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (Cl- • C6H11NO3) + C6H11NO3 = (Cl- • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr82.8kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Δr82.8kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr113.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Δr113.J/mol*KPHPMSMeot-ner, 1988gas phase

C3H10N+ + L-Alanine, N-acetyl-, methyl ester = (C3H10N+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C3H10N+ + C6H11NO3 = (C3H10N+ • C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr124.kJ/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Δr115.J/mol*KPHPMSMeot-Ner, 1984gas phase

C6H12NO3+ + L-Alanine, N-acetyl-, methyl ester = (C6H12NO3+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C6H12NO3+ + C6H11NO3 = (C6H12NO3+ • C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr126.kJ/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Δr132.J/mol*KPHPMSMeot-Ner, 1984gas phase

CH6N+ + L-Alanine, N-acetyl-, methyl ester = (CH6N+ • L-Alanine, N-acetyl-, methyl ester)

By formula: CH6N+ + C6H11NO3 = (CH6N+ • C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr168.kJ/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Δr147.J/mol*KPHPMSMeot-Ner, 1984gas phase

(MeCO2 anion • Water) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion • L-Alanine, N-acetyl-, methyl ester • Water)

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

Quantity Value Units Method Reference Comment
Δr115.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr163.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(C3H4N2+ • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (C3H4N2+ • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C3H4N2+ • C6H11NO3) + C6H11NO3 = (C3H4N2+ • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr91.2kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr131.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(C6H14N+ • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (C6H14N+ • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C6H14N+ • C6H11NO3) + C6H11NO3 = (C6H14N+ • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr85.4kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr123.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(MeCO2 anion • L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion • 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C2H3O2- • C6H11NO3) + C6H11NO3 = (C2H3O2- • 2C6H11NO3)

Quantity Value Units Method Reference Comment
Δr88.7kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr143.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

HS- + L-Alanine, N-acetyl-, methyl ester = (HS- • L-Alanine, N-acetyl-, methyl ester)

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

Quantity Value Units Method Reference Comment
Δr115.kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr116.J/mol*KPHPMSMeot-ner, 1988gas phase

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

imidazolide anion + L-Alanine, N-acetyl-, methyl ester = (imidazolide anion • L-Alanine, N-acetyl-, methyl ester)

By formula: C3H3N2- + C6H11NO3 = (C3H3N2- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr96.7kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr104.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

C3H4N2+ + L-Alanine, N-acetyl-, methyl ester = (C3H4N2+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C3H4N2+ + C6H11NO3 = (C3H4N2+ • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr116.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr113.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

C6H14N+ + L-Alanine, N-acetyl-, methyl ester = (C6H14N+ • L-Alanine, N-acetyl-, methyl ester)

By formula: C6H14N+ + C6H11NO3 = (C6H14N+ • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr158.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr171.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

MeCO2 anion + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion • L-Alanine, N-acetyl-, methyl ester)

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

Quantity Value Units Method Reference Comment
Δr126.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Δr141.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

CN- + L-Alanine, N-acetyl-, methyl ester = (CN- • L-Alanine, N-acetyl-, methyl ester)

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

Quantity Value Units Method Reference Comment
Δr110.kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSMeot-ner, 1988gas phase

References

Go To: Top, Reaction thermochemistry 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]

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]


Notes

Go To: Top, Reaction thermochemistry data, References