Cyclohexanamine, protonated
- Formula: C6H14N+
- Molecular weight: 100.1815
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Reaction thermochemistry data
Go To: Top, References, Notes
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
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C12H24O6 = (C6H14N+ • C12H24O6)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 48. ± 4. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; Entropy change calculated or estimated |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 38. | cal/mol*K | N/A | Meot-Ner (Mautner), 1983 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 23. | 670. | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; Entropy change calculated or estimated |
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C4H10O = (C6H14N+ • C4H10O)
Bond type: Hydrogen bonds of the type NH+-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.0 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase |
| ΔrH° | 21.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.8 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase |
| ΔrS° | 31.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C8H18O4 = (C6H14N+ • C8H18O4)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 43.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; triglyme |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 43.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; triglyme |
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C6H14O3 = (C6H14N+ • C6H14O3)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 39.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; diglyme |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 44.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; diglyme |
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C5H12O2 = (C6H14N+ • C5H12O2)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 35.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C10H20O5 = (C6H14N+ • C10H20O5)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 42.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 36.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C4H10O2 = (C6H14N+ • C4H10O2)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 29.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 35.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C8H16O4 = (C6H14N+ • C8H16O4)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 37.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 34.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase |
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C6H14O = (C6H14N+ • C6H14O)
Bond type: Hydrogen bonds of the type NH+-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 25.4 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.2 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase |
(C6H14N+ • ) +
= (C6H14N+ • 2
)
By formula: (C6H14N+ • C6H11NO3) + C6H11NO3 = (C6H14N+ • 2C6H11NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase |
C6H14N+ + = (C6H14N+ •
)
By formula: C6H14N+ + C6H11NO3 = (C6H14N+ • C6H11NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 37.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 40.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas 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), 1983
Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond. 3. Multiple and -CH+...O- Bonds. Complexes of Ammonium Ions with Polyethers and Crown Ethers,
J. Am. Chem. Soc., 1983, 105, 15, 4912, https://doi.org/10.1021/ja00353a012
. [all data]
Meot-Ner, 1984
Meot-Ner, (Mautner)M.,
The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects,
J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015
. [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]
Notes
Go To: Top, Reaction thermochemistry 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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