O2C(CH2)6CO2 dianion
- Formula: C8H12O4-2
- Molecular weight: 172.1796
- CAS Registry Number: 764-55-6
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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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Individual Reactions
By formula: C8H12O4-2 + H2O = (C8H12O4-2 • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.7 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H12O4-2 • 2) + = (C8H12O4-2 • 3)
By formula: (C8H12O4-2 • 2H2O) + H2O = (C8H12O4-2 • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • 3) + = (C8H12O4-2 • 4)
By formula: (C8H12O4-2 • 3H2O) + H2O = (C8H12O4-2 • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • 4) + = (C8H12O4-2 • 5)
By formula: (C8H12O4-2 • 4H2O) + H2O = (C8H12O4-2 • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • 5) + = (C8H12O4-2 • 6)
By formula: (C8H12O4-2 • 5H2O) + H2O = (C8H12O4-2 • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • ) + = (C8H12O4-2 • 2)
By formula: (C8H12O4-2 • H2O) + H2O = (C8H12O4-2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.1 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
C8H12O4-2 + = C8H13O4-2
By formula: C8H12O4-2 + H+ = C8H13O4-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 390.9 ± 3.2 | kcal/mol | D-EA | Yang, Fu, et al., 2004 | gas phase; B |
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.
Ding, Wang, et al., 1998
Ding, C.F.; Wang, X.B.; Wang, L.S.,
Photoelectron spectroscopy of doubly charged anions: Intramolecular Coulomb repulsion and solvent stabilization,
J. Phys. Chem. A, 1998, 102, 45, 8633-8636, https://doi.org/10.1021/jp982698x
. [all data]
Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P.,
Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I,
J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019
. [all data]
Yang, Fu, et al., 2004
Yang, X.; Fu, Y.J.; Wang, X.B.; Slavicek, P.; Mucha, M.; Jungwirth, P.; Wang, L.S.,
Solvent-mediated folding of a doubly charged anion,
J. Am. Chem. Soc., 2004, 126, 3, 876-883, https://doi.org/10.1021/ja038108c
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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