[2H3]acetonitrile
- Formula: C2D3N
- Molecular weight: 44.0704
- CAS Registry Number: 2206-26-0
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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
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
By formula: C5H5- + C2D3N = (C5H5- • C2D3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase |
( • C2D3N) + C2D3N = ( • 2C2D3N)
By formula: (C5H5- • C2D3N) + C2D3N = (C5H5- • 2C2D3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; CD3CN |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; CD3CN |
( • 2C2D3N) + C2D3N = ( • 3C2D3N)
By formula: (C5H5- • 2C2D3N) + C2D3N = (C5H5- • 3C2D3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1 | 232. | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN |
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]
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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