O2C(CH2)6CO2 dianion
- Formula: C8H12O4-2
- Molecular weight: 172.1796
- CAS Registry Number: 764-55-6
- Information on this page:
- Options:
Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering data, References, Notes
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
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 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering data, 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: John E. Bartmess
Electron affinity of neutral species
EAneutral (eV) | Method | Reference | Comment |
---|---|---|---|
1.550 ± 0.050 | LPES | Yang, Fu, et al., 2004 | |
1.520 ± 0.090 | LPES | Ding, Wang, et al., 1998 |
Protonation reactions
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 |
Ion clustering data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
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 |
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 • ) + = (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 • 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 |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.