Oxepane
- Formula: C6H12O
- Molecular weight: 100.1589
- IUPAC Standard InChIKey: UHHKSVZZTYJVEG-UHFFFAOYSA-N
- CAS Registry Number: 592-90-5
- 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: Hexahydrooxepin; Hexamethylene oxide; Hexane, 1,6-epoxy-; Oxacycloheptane; Oxepin, hexahydro-
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Gas phase thermochemistry data
Go To: Top, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.932 | 50. | Dorofeeva O.V., 1992 | p=1 bar. |
12.18 | 100. | ||
15.74 | 150. | ||
19.62 | 200. | ||
26.479 | 273.15 | ||
29.08 ± 0.84 | 298.15 | ||
29.271 | 300. | ||
39.864 | 400. | ||
49.453 | 500. | ||
57.543 | 600. | ||
64.300 | 700. | ||
69.981 | 800. | ||
74.792 | 900. | ||
78.886 | 1000. | ||
82.383 | 1100. | ||
85.380 | 1200. | ||
87.954 | 1300. | ||
90.172 | 1400. | ||
92.089 | 1500. |
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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 389.15 | K | N/A | Kirrmann and Hamaide, 1957 | Uncertainty assigned by TRC = 1. K |
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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 199.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 192.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.15 ± 0.05 | EI | Holmes and Lossing, 1991 | LL |
References
Go To: Top, Gas 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.
Dorofeeva O.V., 1992
Dorofeeva O.V.,
Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 2. Six-membered, seven-membered and eight-membered rings,
Thermochim. Acta, 1992, 200, 121-150. [all data]
Kirrmann and Hamaide, 1957
Kirrmann, A.; Hamaide, N.,
New Preparation of Oxycyclanes,
Bull. Soc. Chim. Fr., 1957, 1957, 789. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P.,
Ionization energies of homologous organic compounds and correlation with molecular size,
Org. Mass Spectrom., 1991, 26, 537. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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