3-Ethylaniline, protonated
- Formula: C8H12N+
- Molecular weight: 122.1870
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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
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
C8H12N+ + = (C8H12N+ •
)
By formula: C8H12N+ + H2O = (C8H12N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.2 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.7 | 434. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration |
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 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
C8H12N+ + = (C8H12N+ •
)
By formula: C8H12N+ + H2O = (C8H12N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.2 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.7 | 434. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration |
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.
Lau, Nishizawa, et al., 1981
Lau, Y.K.; Nishizawa, K.; Tse, A.; Brown, R.S.; Kebarle, P.,
Protonation and Site of Protonation in Anilines. Hydration and Site of Protonation after Hydration,
J. Am. Chem. Soc., 1981, 103, 21, 6291, https://doi.org/10.1021/ja00411a004
. [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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