Ferrocene, positive ion
- Formula: C10H10Fe+
- Molecular weight: 186.031
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Ion clustering 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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Clustering reactions
C10H10Fe+ + = (C10H10Fe+ •
)
By formula: C10H10Fe+ + C2H3N = (C10H10Fe+ • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1989 | gas phase |
(C10H10Fe+ • ) +
= (C10H10Fe+ • 2
)
By formula: (C10H10Fe+ • C2H3N) + C2H3N = (C10H10Fe+ • 2C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 16.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1989 | gas phase |
C10H10Fe+ + = (C10H10Fe+ •
)
By formula: C10H10Fe+ + C2H6O = (C10H10Fe+ • C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG< |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG< |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.7 | 250. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG< |
C10H10Fe+ + = (C10H10Fe+ •
)
By formula: C10H10Fe+ + C6H6 = (C10H10Fe+ • C6H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG< |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG< |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.0 | 252. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG< |
C10H10Fe+ + = (C10H10Fe+ •
)
By formula: C10H10Fe+ + C9H13N = (C10H10Fe+ • C9H13N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1989 | gas phase |
C10H10Fe+ + = (C10H10Fe+ •
)
By formula: C10H10Fe+ + C10H10Fe = (C10H10Fe+ • C10H10Fe)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG< |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG< |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.9 | 253. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG< |
References
Go To: Top, Ion clustering 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), 1989
Meot-Ner (Mautner), M.,
Ion DChemistry of Ferrocene. Thermochemistry of Ionization and Protonation and Solvent Clustering. Slow and Entropy - Driven Proton - Transfer Kinetics,
J. Am. Chem. Soc., 1989, 111, 8, 2830, https://doi.org/10.1021/ja00190a014
. [all data]
Notes
Go To: Top, 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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