Benzene, nitro- anion
- Formula: C6H5NO2-
- Molecular weight: 123.1099
- CAS Registry Number: 12169-65-2
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Reaction thermochemistry data
Go To: Top, 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
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + CH4O = (C6H5NO2- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.10 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.1 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.30 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 6.3 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.3 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C2H6OS = (C6H5NO2- • C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.80 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.5 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.50 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 8.6 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
(C6H5NO2- • ) +
= (C6H5NO2- • 2
)
By formula: (C6H5NO2- • H2O) + H2O = (C6H5NO2- • 2H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.40 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.7 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.00 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + H2O = (C6H5NO2- • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.50 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.9 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.00 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C2H4O2 = (C6H5NO2- • C2H4O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.60 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.8 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.60 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C3H6O = (C6H5NO2- • C3H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.20 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.40 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C4H8O = (C6H5NO2- • C4H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 3.2 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 35°C.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.2 | 308. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C3H7NO = (C6H5NO2- • C3H7NO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 6.2 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.2 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C2H3N = (C6H5NO2- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 6.6 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.6 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H5NO2- + = C6H5F4NO2Si-
By formula: C6H5NO2- + F4Si = C6H5F4NO2Si-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 35.0 ± 2.0 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 15.50 ± 0.60 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C4H10O = (C6H5NO2- • C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.4 | kcal/mol | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 27.2 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Ion clustering data
Go To: Top, Reaction thermochemistry 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
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + CH4O = (C6H5NO2- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.10 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.1 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.30 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 6.3 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.3 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C2H3N = (C6H5NO2- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 6.6 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.6 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C2H4O2 = (C6H5NO2- • C2H4O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.60 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.8 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.60 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C2H6OS = (C6H5NO2- • C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.80 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.5 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.50 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 8.6 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C3H6O = (C6H5NO2- • C3H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.20 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.40 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C3H7NO = (C6H5NO2- • C3H7NO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 6.2 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.2 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C4H8O = (C6H5NO2- • C4H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 3.2 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 35°C.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.2 | 308. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + C4H10O = (C6H5NO2- • C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.4 | kcal/mol | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 27.2 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
C6H5NO2- + = C6H5F4NO2Si-
By formula: C6H5NO2- + F4Si = C6H5F4NO2Si-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 35.0 ± 2.0 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 15.50 ± 0.60 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
C6H5NO2- + = (C6H5NO2- •
)
By formula: C6H5NO2- + H2O = (C6H5NO2- • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.50 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.9 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.00 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
(C6H5NO2- • ) +
= (C6H5NO2- • 2
)
By formula: (C6H5NO2- • H2O) + H2O = (C6H5NO2- • 2H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.40 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.7 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.00 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
References
Go To: Top, Reaction thermochemistry 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.
Sieck, 1985
Sieck, L.W.,
Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure.,
J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049
. [all data]
Chowdhury, Grimsrud, et al., 1987
Chowdhury, S.; Grimsrud, E.P.; Kebarle, P.,
Bonding of Charged Delocalized Anions to Protic and Dipolar Aprotic Solvent Molecules,
J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021
. [all data]
Chowdhury, 1987
Chowdhury, S. Grimsrud,
Bonding of Charge Delocalized Anions to Protic and Dipolar Aprotic Solvents,
J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021
. [all data]
Williamson, Knighton, et al., 2001
Williamson, D.H.; Knighton, W.B.; Grimsrud, E.P.,
Lewis acid-base interactions of SiF4 with molecular anions formed by electron capture reactions,
Int. J. Mass Spectrom., 2001, 206, 1-2, 53-61, https://doi.org/10.1016/S1387-3806(00)00388-2
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, 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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