1,12-Diaminododecane, diprotonated
- Formula: C12H30N2
- Molecular weight: 202.3800
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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
(C12H30N2 • 2) +
= (C12H30N2 • 3
)
By formula: (C12H30N2 • 2H2O) + H2O = (C12H30N2 • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.5 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 7.1 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase |
(C12H30N2 • 3) +
= (C12H30N2 • 4
)
By formula: (C12H30N2 • 3H2O) + H2O = (C12H30N2 • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.6 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.5 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.4 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase |
(C12H30N2 • ) +
= (C12H30N2 • 2
)
By formula: (C12H30N2 • H2O) + H2O = (C12H30N2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.7 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.2 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
C12H30N2 + = (C12H30N2 •
)
By formula: C12H30N2 + H2O = (C12H30N2 • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.7 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.1 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.7 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
(C12H30N2 • 4) +
= (C12H30N2 • 5
)
By formula: (C12H30N2 • 4H2O) + H2O = (C12H30N2 • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 5.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 5.5 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase |
(C12H30N2 • 5) +
= (C12H30N2 • 6
)
By formula: (C12H30N2 • 5H2O) + H2O = (C12H30N2 • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 4.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 5.0 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | 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.
Blades, Klassen, et al., 1996
Blades, A.T.; Klassen, J.S.; Kebarle, P.,
Determination of Ion-Solvent Equilibria in the Gas Phase. Hydration of Diprotonated Diamines and Bis(trimethylammonium) Alkanes,
J. Am. Chem. Soc., 1996, 118, 49, 12437, https://doi.org/10.1021/ja962641t
. [all data]
Klassen, Blades, et al., 1995
Klassen, J.S.; Blades, A.T.; Kebarle, P.,
Determinations of Ion-Molecule Equilibria Involving Ions Produced by Electrospray. Hydration of Protonated Amines, Diamines, and Some Small Peptides,
J. Phys. Chem., 1995, 99, 42, 15509, https://doi.org/10.1021/j100042a027
. [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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