Acetamide, N,N-dimethyl-, protonated
- Formula: C4H10NO+
- Molecular weight: 88.1278
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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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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Clustering reactions
By formula: C4H10NO+ + CHN = (C4H10NO+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
By formula: C4H10NO+ + C2H4O2 = (C4H10NO+ • C2H4O2)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase |
By formula: C4H10NO+ + C4H9NO = (C4H10NO+ • C4H9NO)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.3 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.4 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase |
By formula: C4H10NO+ + H2O = (C4H10NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrH° | 16.5 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase |
(C4H10NO+ • ) + = (C4H10NO+ • 2)
By formula: (C4H10NO+ • H2O) + H2O = (C4H10NO+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrH° | 12.3 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase |
(C4H10NO+ • 2) + = (C4H10NO+ • 3)
By formula: (C4H10NO+ • 2H2O) + H2O = (C4H10NO+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase |
(C4H10NO+ • 3) + = (C4H10NO+ • 4)
By formula: (C4H10NO+ • 3H2O) + H2O = (C4H10NO+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.4 | 268. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated |
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.
Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites,
J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020
. [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]
Meot-Ner (Mautner), 1984
Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration,
J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016
. [all data]
Notes
Go To: Top, Ion clustering data, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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