Oxirane, phenyl-
- Formula: C8H8O
- Molecular weight: 120.1485
- IUPAC Standard InChI: InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
- IUPAC Standard InChIKey: AWMVMTVKBNGEAK-UHFFFAOYSA-N
- CAS Registry Number: 96-09-3
- 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: Benzene, (epoxyethyl)-; α,β-Epoxystyrene; (Epoxyethyl)benzene; (1,2-Epoxyethyl)benzene; Epoxystyrene; Phenethylene oxide; Phenylethylene oxide; Phenyloxirane; Styrene epoxide; Styrene oxide; Styrene 7,8-oxide; Styryl oxide; 1-Phenyl-1,2-epoxyethane; 1-Phenyloxirane; 2-Phenyloxirane; NCI-C54977; 1,2-Epoxy-1-phenylethane; Fenyloxiran; Ethane, 1,2-epoxy-1-phenyl-; NSC 637; Oxirane, 2-phenyl-; (.+/-.)-Styrene oxide; Benzene, epoxymethyl-
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Phase change data
Go To: Top, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 467.3 | K | N/A | Weast and Grasselli, 1989 |
Gas phase ion energetics data
Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C8H8O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.23 | PE | Akiyama, Li, et al., 1979 | Vertical value |
| 9.04 | PE | Shudo, Kobayashi, et al., 1977 | Vertical value |
| 9.07 | PE | McAlduff and Houk, 1977 | Vertical value |
IR Spectrum
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 110. | 1630.8 | Boneva and Vassilev, 1996 | 50. m/0.32 mm/0.3 μm, N2 |
| Capillary | Carbowax 20M | 120. | 1628.9 | Boneva and Vassilev, 1996 | 50. m/0.32 mm/0.3 μm, N2 |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1119. | Kucuk, Gulec, et al., 2006 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 2. min, 5. K/min, 260. C @ 13. min |
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Akiyama, Li, et al., 1979
Akiyama, I.; Li, K.C.; LeBreton, P.R.; Fu, P.P.; Harvey, R.G.,
Ultraviolet photoelectron studies of polycyclic aromatic hydrocarbons. The ground-state electronic structure of aryloxiranes and metabolites of benzo[a]pyrene,
J. Phys. Chem., 1979, 83, 2997. [all data]
Shudo, Kobayashi, et al., 1977
Shudo, K.; Kobayashi, T.; Utsunomiya, C.,
Photoelectron spectral studies on the interaction of three-membered rings with aryl groups,
Tetrahedron, 1977, 33, 1721. [all data]
McAlduff and Houk, 1977
McAlduff, E.J.; Houk, K.N.,
Photoelectron spectra of substituted oxiranes and thiiranes. Substituent effects on ionization potentials involving σ orbitals,
Can. J. Chem., 1977, 55, 318. [all data]
Boneva and Vassilev, 1996
Boneva, S.; Vassilev, K.,
Gas chromatographic separation of epoxystyrenes on carbowax 20 M capillary column,
Chromatographia, 1996, 43, 3/4, 208-210, https://doi.org/10.1007/BF02292953
. [all data]
Kucuk, Gulec, et al., 2006
Kucuk, M.; Gulec, C.; Yasar, A.; Ucuncu, O.; Yayh, N.; Coskuncelebi, K.; Terzioglu, S.; Yayh, N.,
Chemical composition and antimicrobial activities of the essential oils of Teucrium chamaedrys subsp. chamaedrys, T. orientale var. puberulens, and T. chamaedrys subsp. lydium,
Pharm. Biol., 2006, 44, 8, 592-599, https://doi.org/10.1080/13880200600896868
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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