3-Oxatricyclo[3.2.1.0(2,4)]octane, (1α,2β,4β,5α)-
- Formula: C7H10O
- Molecular weight: 110.1537
- IUPAC Standard InChI: InChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2
- IUPAC Standard InChIKey: OHNNZOOGWXZCPZ-UHFFFAOYSA-N
- CAS Registry Number: 3146-39-2
- 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. - Stereoisomers:
- Other names: Norbornane, 2,3-epoxy-, exo-; exo-Norbornene oxide; exo-2,exo-3-Epoxybicyclo[2.2.1]heptane; exo-2,3-Epoxynorbornane; exo-2,3-Oxidonorbornane; 3-Oxatricyclo[3.2.1.02,4]octane, exo-; 3-Oxatricyclo(3.2.1.0(2,4))octane, exo-; Norbornane oxide, exo-2,3-; 3-Oxatricyclo[3.2.1.02,4]octane, (1α,2β,4β,5α)-; NSC 103153; NSC 196237
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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 | -53.9 ± 2.6 | kJ/mol | Ccb | Kozina, Timofeeva, et al., 1988 | See Timofeeva, Lukyanova, et al., 1984 |
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 | -98.0 ± 2.5 | kJ/mol | Ccb | Kozina, Timofeeva, et al., 1988 | See Timofeeva, Lukyanova, et al., 1984 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -4085.7 ± 2.5 | kJ/mol | Ccb | Kozina, Timofeeva, et al., 1988 | See Timofeeva, Lukyanova, et al., 1984; Corresponding ΔfHºsolid = -98.0 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 44.1 ± 0.5 | kJ/mol | C | Kozina, Timofeeva, et al., 1988 | See Timofeeva, Lukyanova, et al., 1984; ALS |
| ΔsubH° | 44.1 | kJ/mol | N/A | Kozina, Timofeeva, et al., 1988 | DRB |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | WESTERN REGIONAL RES. USDA |
| Source reference | COBLENTZ NO. 06241 |
| Date | 1968/02/07 |
| Name(s) | 3-oxatricyclo[3.2.1.0<2,4>]octane |
| State | SOLUTION (10% CCl4 FOR 4000-1200, 10% CS2 FOR 1200-450 CM-1) VS SOLVENT |
| Instrument | CARY 90 (GRATING) |
| Instrument parameters | ORDER CHANGES: 3000, 2000, 1200 CM-1 |
| Path length | 0.009 CM, AND 0.009 CM |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY (ADJUSTED subtractcm-110-0-0) |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 163361 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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]
Notes
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- 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 at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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