pyrrolide anion
- Formula: C4H4N-
- Molecular weight: 66.0818
- IUPAC Standard InChI: InChI=1S/C4H4N/c1-2-4-5-3-1/h1-4H/q-1
- IUPAC Standard InChIKey: KFFMWJLUQMFKOH-UHFFFAOYSA-N
- CAS Registry Number: 23303-09-5
- Chemical structure:
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Ion clustering data
Go To: Top, 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
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By formula: C4H4N- + CH4O = (C4H4N- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 27.5 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
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By formula: C4H4N- + C2H3N = (C4H4N- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.4 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
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By formula: C4H4N- + C2H5NO = (C4H4N- • C2H5NO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26. ± 2. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
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By formula: C4H4N- + C3H6O = (C4H4N- • C3H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.5 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.0 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
( •
) +
= (
• 2
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By formula: (C4H4N- • C3H6O) + C3H6O = (C4H4N- • 2C3H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.7 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.0 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
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By formula: C4H4N- + C3H7NO = (C4H4N- • C3H7NO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 30. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.9 | 497. | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
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By formula: C4H4N- + C4H5N = (C4H4N- • C4H5N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.5 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 35.2 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 16.3 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
( •
) +
= (
• 2
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By formula: (C4H4N- • C4H5N) + C4H5N = (C4H4N- • 2C4H5N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.1 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.2 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
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By formula: C4H4N- + H2O = (C4H4N- • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.1 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
( •
) +
= (
• 2
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By formula: (C4H4N- • H2O) + H2O = (C4H4N- • 2H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.1 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
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, 1988
Meot-ner, M.,
The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules,
J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022
. [all data]
Meot-Ner (Mautner), 1988
Meot-Ner (Mautner), M.,
Models for Strong Interactions in Proteins and Enzymes. 2. Interactions of Ions with the Peptide Link and Imidazole,
J. Am. Chem. Soc., 1988, 110, 10, 3075, https://doi.org/10.1021/ja00218a014
. [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
- 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.
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