2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-dimethyl-
- Formula: C7H12O3
- Molecular weight: 144.1684
- IUPAC Standard InChIKey: GDZAVHGIQPTDDN-UHFFFAOYSA-N
- CAS Registry Number: 27761-61-1
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 | -560.16 ± 0.69 | kJ/mol | Ccb | Rakus, Verevkin, et al., 1995 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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°solid | -634.05 ± 0.58 | kJ/mol | Ccb | Rakus, Verevkin, et al., 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -3835.49 ± 0.58 | kJ/mol | Ccb | Rakus, Verevkin, et al., 1995 | Corresponding ΔfHºsolid = -634.06 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics 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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 73.89 ± 0.13 | kJ/mol | V | Rakus, Verevkin, et al., 1995 | ALS |
ΔsubH° | 73.9 | kJ/mol | N/A | Rakus, Verevkin, et al., 1995 | DRB |
ΔsubH° | 74.9 | kJ/mol | N/A | Rakus, Verevkin, et al., 1995 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.0 | 370.2 | Rakus, Verevkin, et al., 1995 | 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 |
---|---|---|---|
9.0 | PE | Cowley, Goodman, et al., 1977 | |
9.45 | PE | Cowley, Goodman, 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.
Rakus, Verevkin, et al., 1995
Rakus, K.; Verevkin, S.P.; Peng, W.-H.; Beckhaus, H.D.; Ruchardt, C.,
The anomeric effect in orthoesters - the concept of geminal pairwise interactions for the interpretation of standard enthalpies of formation,
Liebigs Ann., 1995, 2059-2067. [all data]
Cowley, Goodman, et al., 1977
Cowley, A.H.; Goodman, D.W.; Kuebler, N.A.; Sanchez, M.; Verkade, J.G.,
Molecular photoelectron spectroscopic investigation of some caged phosphorus compounds and related acyclic species,
Inorg. Chem., 1977, 16, 854. [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 ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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