National Institute of Standards and Technology

NIST Chemistry WebBook, SRD 69

DL-Alanine, N-acetyl, methyl ester, protonated

Formula: C₆H₁₂NO₃⁺
Molecular weight: 146.1638
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Other data available:
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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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

(C₆H₁₂NO₃⁺ • 2) + = (C₆H₁₂NO₃⁺ • 3)

By formula: (C₆H₁₂NO₃⁺ • 2H₂O) + H₂O = (C₆H₁₂NO₃⁺ • 3H₂O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.5	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.5	cal/mol*K	PHPMS	Meot-Ner, 1984	gas phase

(C₆H₁₂NO₃⁺ • ) + = (C₆H₁₂NO₃⁺ • 2)

By formula: (C₆H₁₂NO₃⁺ • H₂O) + H₂O = (C₆H₁₂NO₃⁺ • 2H₂O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.4	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.0	cal/mol*K	PHPMS	Meot-Ner, 1984	gas phase

C₆H₁₂NO₃⁺ + = (C₆H₁₂NO₃⁺ • )

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.1	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.5	cal/mol*K	PHPMS	Meot-Ner, 1984	gas phase

C₆H₁₂NO₃⁺ + = (C₆H₁₂NO₃⁺ • )

By formula: C₆H₁₂NO₃⁺ + H₂O = (C₆H₁₂NO₃⁺ • H₂O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.0	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-Ner, 1984	gas phase

C₆H₁₂NO₃⁺ + = (C₆H₁₂NO₃⁺ • )

By formula: C₆H₁₂NO₃⁺ + C₂H₄O₂ = (C₆H₁₂NO₃⁺ • C₂H₄O₂)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.1	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.2	cal/mol*K	PHPMS	Meot-Ner, 1984	gas phase

C₆H₁₂NO₃⁺ + = (C₆H₁₂NO₃⁺ • )

By formula: C₆H₁₂NO₃⁺ + CH₅N = (C₆H₁₂NO₃⁺ • CH₅N)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	28.6	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.9	cal/mol*K	PHPMS	Meot-Ner, 1984	gas phase

References

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

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

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Symbols used in this document:

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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