3-Methylaniline, protonated
- Formula: C7H10N+
- Molecular weight: 108.1605
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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
C7H10N+ + = (C7H10N+ •
)
By formula: C7H10N+ + H2O = (C7H10N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.5 | 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 |
|---|---|---|---|---|
| 4.0 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration |
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.
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
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- 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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