(3-Methoxyphenyl)acetonitrile
- Formula: C9NO
- Molecular weight: 138.1024
- IUPAC Standard InChI: InChI=1S/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3
- IUPAC Standard InChIKey: LXKNAUOWEJWGTE-UHFFFAOYSA-N
- CAS Registry Number: 19924-43-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: (m-Methoxyphenyl)acetonitrile; m-Methoxy benzyl cyanide; Benzeneacetonitrile, 3-methoxy-; 2-(3-Methoxyphenyl)acetonitrile
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Gas phase ion energetics 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 by: John E. Bartmess
De-protonation reactions
C9H8NO- + =
By formula: C9H8NO- + H+ = C9NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1461. ± 10. | kJ/mol | G+TS | Taft and Topsom, 1987 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1434. ± 8.4 | kJ/mol | IMRE | Taft and Topsom, 1987 | gas phase |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D.,
The Nature and Analysis of Substituent Effects,
Prog. Phys. Org. Chem., 1987, 16, 1. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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