Pyrrole, positive ion
- Formula: C4H5N+
- Molecular weight: 67.0887
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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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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Individual Reactions
(C4H5N+ • ) +
= (C4H5N+ • 2
)
By formula: (C4H5N+ • H2O) + H2O = (C4H5N+ • 2H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.6 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; Entropy change calculated or estimated |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15. | cal/mol*K | N/A | Hiraoka, Takimoto, et al., 1987 | gas phase; Entropy change calculated or estimated |
(C4H5N+ • ) +
= (C4H5N+ • 2
)
By formula: (C4H5N+ • C4H5N) + C4H5N = (C4H5N+ • 2C4H5N)
Bond type: Charge transfer bond (positive ion)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.2 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase |
C4H5N+ + = (C4H5N+ •
)
By formula: C4H5N+ + C4H5N = (C4H5N+ • C4H5N)
Bond type: Charge transfer bond (positive ion)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.3 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase |
C4H5N+ + = (C4H5N+ •
)
By formula: C4H5N+ + H2O = (C4H5N+ • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.7 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.5 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S.,
Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms,
J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
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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