7-Oxabicyclo[4.1.0]heptane
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChI: InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2
- IUPAC Standard InChIKey: ZWAJLVLEBYIOTI-UHFFFAOYSA-N
- CAS Registry Number: 286-20-4
- 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: Cyclohexane, 1,2-epoxy-; Cyclohexene epoxide; Cyclohexene oxide; Cyclohexene 1-oxide; Cyclohexylene oxide; Tetramethyleneoxirane; 1,2-Cyclohexene oxide; 1,2-Epoxycyclohexane; Bicyclo[4.1.0]heptane, 7-oxa-; CCHO; NSC 128074
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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°liquid | -166.0 ± 1.1 | kJ/mol | Ccb | Kozina, Timofeeva, et al., 1988 | See Timofeeva, Lukyanova, et al., 1984; ALS |
| ΔfH°liquid | -165.3 ± 1.0 | kJ/mol | Ccb | Andruzzi, Li, et al., 1987 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3624.2 ± 1.0 | kJ/mol | Ccb | Kozina, Timofeeva, et al., 1988 | See Timofeeva, Lukyanova, et al., 1984; Corresponding ΔfHºliquid = -166.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -3624.9 ± 0.6 | kJ/mol | Ccb | Andruzzi, Li, et al., 1987 | Corresponding ΔfHºliquid = -165.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 221.98 | J/mol*K | N/A | Nakamura, Suga, et al., 1980 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 166.12 | 300. | Nakamura, Suga, et al., 1980 | T = 13 to 300 K. Unsmoothed experimental datum for Cp at 296.96 K is 164.98 J/mol*K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kozina, Timofeeva, et al., 1988
Kozina, M.P.; Timofeeva, L.P.; Luk'Yanova, V.A.; Pimenova, S.M.; Kas'yan, L.I.,
Enthalpies of formation and some alicyclic epoxy compounds,
Russ. J. Phys. Chem. (Engl. Transl.), 1988, 62, 609-612. [all data]
Timofeeva, Lukyanova, et al., 1984
Timofeeva, L.P.; Lukyanova, V.A.; Kozina, M.P.; Stepanova, N.V.,
Enthalpies of combustion and formation of some epoxides of cyclic alkenes,
Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, 1984, 1, 193-195. [all data]
Andruzzi, Li, et al., 1987
Andruzzi, F.; Li, S.; Pilcher, G.; Heatley, F.,
Enthalpy of polymerisation of 7-oxabicyclo[4.1.0]heptane,
Makromol. Chem., 1987, 188, 2643-2650. [all data]
Nakamura, Suga, et al., 1980
Nakamura, N.; Suga, H.; Seki, S.,
Calorimetric study on orientationally disordered crystals. Cyclohexene oxide and cyclohexanone,
Bull. Chem. Soc. Japan, 1980, 53(10), 2755-2761. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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