2,4,6-Trimethylbenzonitrile, N-oxide
- Formula: C10H11NO
- Molecular weight: 161.2004
- IUPAC Standard InChIKey: ZILPALOUYKHPKI-UHFFFAOYSA-N
- CAS Registry Number: 2904-57-6
- 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: Benzonitrile, 2,4,6-trimethyl-, N-oxide; Mesitonitrile oxide; Mesitonitrile N-oxide; 2,4,6-Trimethylbenzonitrile oxide
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 137.0 ± 4.0 | kJ/mol | Ccb | Acree, Simirsky, et al., 1992 | |
ΔfH°gas | 133.4 ± 4.0 | kJ/mol | Ccb | Acree, Tucker, et al., 1991 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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 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 | 49.3 ± 3.5 | kJ/mol | Ccb | Acree, Simirsky, et al., 1992 | ALS |
ΔfH°solid | 55.9 ± 1.5 | kJ/mol | Ccb | Acree, Tucker, et al., 1991 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -5556.5 ± 2.5 | kJ/mol | Ccb | Acree, Simirsky, et al., 1992 | ALS |
ΔcH°solid | -5563.1 ± 0.8 | kJ/mol | Ccb | Acree, Tucker, et al., 1991 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 265.08 | J/mol*K | N/A | Acree, Sevruk, et al., 1993 | DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
236.10 | 298.15 | Acree, Sevruk, et al., 1993 | T = 6 to 319 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase 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 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 |
---|---|---|---|---|---|
ΔsubH° | 87.8 ± 1.8 | kJ/mol | V | Acree, Simirsky, et al., 1992 | ALS |
ΔsubH° | 77.5 ± 3.7 | kJ/mol | V | Acree, Tucker, et al., 1991 | ALS |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.080 | 224.3 | crystaline, II | crystaline, I | Acree, Sevruk, et al., 1993 | DH |
87.800 | 298.15 | crystaline, I | Acree, Sevruk, et al., 1993 | p = 0.109 Pa.; DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.35 | 224.3 | crystaline, II | crystaline, I | Acree, Sevruk, et al., 1993 | DH |
265.08 | 298.15 | crystaline, I | Acree, Sevruk, et al., 1993 | p; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Acree, Simirsky, et al., 1992
Acree, W.E., Jr.; Simirsky, V.V.; Kozyro, A.A.; Krasulin, A.P.; Kabo, G.J.; Frenkel, M.L.,
Thermodynamic properties of organic compounds. 2. Combustion and sublimation enthalpies of 2,4,6-trimethylbenzonitrile N-oxide,
J. Chem. Eng. Data, 1992, 37, 131-133. [all data]
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]
Acree, Sevruk, et al., 1993
Acree, W.E., Jr.; Sevruk, V.M.; Kozyro, A.A.; Krasulin, A.P.; Kabo, G.J.; Frenkel, M.L.,
Thermodynamic properties of organic compounds. 3. Sublimation enthalpy and heat capacities of 2,4,6-trimethylbenzonitrile N-oxide,
J. Chem. Eng. Data, 1993, 38(1), 101-104. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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