Benzonitrile,2,4,6-trimethoxy-N-oxide
- Formula: C10H11NO4
- Molecular weight: 209.1986
- CAS Registry Number: 2904-59-8
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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 | -54.54 ± 0.67 | kcal/mol | Ccb | Acree, Tucker, et al., 1991 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -76.51 ± 0.50 | kcal/mol | Ccb | Acree, Tucker, et al., 1991 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1239.7 ± 0.38 | kcal/mol | Ccb | Acree, Tucker, et al., 1991 |
Phase change 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 21.0 ± 0.45 | kcal/mol | N/A | Acree, Sevruk, et al., 1993 | AC |
ΔsubH° | 22.0 ± 0.45 | kcal/mol | V | Acree, Tucker, et al., 1991 | ALS |
ΔsubH° | 18.5 ± 0.88 | kcal/mol | C | Acree, Tucker, et al., 1991 | AC |
ΔsubH° | 22.0 ± 0.45 | kcal/mol | C | Acree, Tucker, et al., 1991 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.9 ± 0.1 | 314. | C | Acree, Sevruk, et al., 1993 | AC |
20.2 ± 0.43 | 319. | ME | Acree, Simirsky, et al., 1992 | AC |
Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.95 | PE | Houk, Caramella, et al., 1977 | Vertical value |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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.
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]
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]
Houk, Caramella, et al., 1977
Houk, K.N.; Caramella, P.; Munchausen, L.L.; Chang, Y.-M.; Battaglia, A.; Sims, J.; Kaufman, D.C.,
Photoelectron spectra of nitrones and nitrile oxides,
J. Electron Spectrosc. Relat. Phenom., 1977, 10, 441. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
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 ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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