Benzonitrile, 2,4,6-trimethyl-
- Formula: C10H11N
- Molecular weight: 145.2010
- IUPAC Standard InChI: InChI=1S/C10H11N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,1-3H3
- IUPAC Standard InChIKey: SNIZBGQMWRHNDY-UHFFFAOYSA-N
- CAS Registry Number: 2571-52-0
- 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: β-Isodurylonitrile; Mesitonitrile; Mesitylnitrile; 2,4,6-Trimethylbenzonitrile; Cyanomesitylene
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Gas phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 106.4 ± 2.3 | kJ/mol | Ccb | Acree, Tucker, et al., 1991 | |
| ΔfH°gas | 84.5 ± 3.0 | kJ/mol | Ccb | Meier, Dogan, et al., 1987 |
Condensed phase 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 23.5 ± 1.6 | kJ/mol | Ccb | Acree, Tucker, et al., 1991 | ALS |
| ΔfH°solid | 6.5 ± 2.8 | kJ/mol | Ccb | Meier, Dogan, et al., 1987 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -5530.7 ± 0.9 | kJ/mol | Ccb | Acree, Tucker, et al., 1991 | ALS |
| ΔcH°solid | -5513.6 ± 2.8 | kJ/mol | Ccb | Meier, Dogan, et al., 1987 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 220.5 | 298.15 | Meier, Dogan, et al., 1987 | DH |
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.
Acree, Tucker, et al., 1991
Acree, W.E., Jr.; Tucker, S.A.; Zvaigzne, A.I.; Meng-Yan, Y.; Pilcher, G.; Ribeiro Da Silva, M.D.M.,
Enthalpies of combustion of 2,4,6-trimethylbenzonitrile, 2,4,6-trimethylbenzonitrile N-oxide,, 2,6-dimethylbenzonitrile, 2,4,6-trimethoxybenzonitrile, and 2,4,6-trimethoxybenzonitrile N-oxide: the dissociation enthalpies of the (N-O) bonds,
J. Chem. Thermodyn., 1991, 23, 31-36. [all data]
Meier, Dogan, et al., 1987
Meier, M.; Dogan, B.; Beckhaus, H.; Ruchardt, C.,
Heats of formation and heats of isomerization of isocyanides,
New J. Chem., 1987, 11, 1-6. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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