- Formula: C9H6N2
- Molecular weight: 142.1573
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: QILKKAFYAFEWGU-UHFFFAOYSA-N
- CAS Registry Number: 876-31-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: p-Tolunitrile, «alpha»-cyano-; «alpha»-Cyano-p-tolunitrile; p-Cyanobenzylcyanide; 4-Cyanophenylacetonitrile; «alpha»,4-Dicyanotoluene
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- Other data available:
Reaction thermochemistry data
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Data compiled by: John E. Bartmess
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C9H5N2- + =
By formula: C9H5N2- + H+ = C9H6N2
|rH°||334.5 ± 2.3||kcal/mol||G+TS||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale|
|rG°||327.9 ± 2.0||kcal/mol||IMRE||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale|
Go To: Top, Reaction thermochemistry data, Notes
Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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