Oxirane, (butoxymethyl)-
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI: InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3
- IUPAC Standard InChIKey: YSUQLAYJZDEMOT-UHFFFAOYSA-N
- CAS Registry Number: 2426-08-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Propane, 1-butoxy-2,3-epoxy-; Butyl glycidyl ether; ERL 0810; Glycidyl butyl ether; 1-Butoxy-2,3-epoxypropane; 2,3-Epoxypropyl butyl ether; 3-Butoxy-1,2-epoxypropane; n-Butyl glycidyl ether; Butyl 2,3-epoxypropyl ether; BGE; Ether, butyl glycidyl; Ether, butyl 2,3-epoxypropyl; Ageflex BGE; Epirez 501; Glycidyl n-butyl ether; (Butoxymethyl)oxirane; NSC 83413; Oxirane, 2-(butoxymethyl)-
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -291.7 ± 3.0 | kJ/mol | N/A | Slivinsky, Dolidze, et al., 1993 | Value computed using ΔfHliquid° value of -345±3 kj/mol from Slivinsky, Dolidze, et al., 1993 and ΔvapH° value of 53.33±0.37 kj/mol from missing citation.; DRB |
| ΔfH°gas | -291.9 ± 2.7 | kJ/mol | Ccb | Van-Chin-Syan and Kachurina, 1987 | ALS |
| ΔfH°gas | -291.7 ± 3.0 | kJ/mol | N/A | Zaikin, Van Chin Syan, et al., 1972 | Value computed using ΔfHliquid° value of -345±3 kj/mol from Zaikin, Van Chin Syan, et al., 1972 and ΔvapH° value of 53.33±0.37 kj/mol from missing citation.; DRB |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.2 | PE | Rodin, Chistyakov, et al., 1985 | |
| 9.72 | PE | Rodin, Chistyakov, et al., 1985 | Vertical value |
Mass spectrum (electron ionization)
Go To: Top, Gas 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| 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 | Japan AIST/NIMC Database- Spectrum MS-NW- 961 |
| NIST MS number | 230229 |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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.
Slivinsky, Dolidze, et al., 1993
Slivinsky, E.V.; Dolidze, A.V.; Loktev, S.M.,
Hydroformylation of 2,3- and 2,5-dihydrofurans in the presence of a homogeneous catalytic complex based on dicarbonylrhodium acetylacetonate modified with various phosphites,
Neftekhimiya, 1993, 33, 102-113. [all data]
Van-Chin-Syan and Kachurina, 1987
Van-Chin-Syan, Yu.Ya.; Kachurina, N.S.,
Thermochemical properties of oxirane derivatives,
Russ. J. Phys. Chem. (Engl. Transl.), 1987, 61, 622-624. [all data]
Zaikin, Van Chin Syan, et al., 1972
Zaikin, I.; Van Chin Syan, Y.Y.; Chuchmarev, S.K.; Elagin, G.I.,
Normal heats of formation of some epoxy compounds,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1972, 15, 1193-1195. [all data]
Rodin, Chistyakov, et al., 1985
Rodin, A.A.; Chistyakov, A.B.; Sarkisov, Y.S.; Sergeev, Y.L.; V'yunov, K.A.; Golovin, A.V.,
Electronic structure and geometric structure of three-member J. Heterocycl. Chem.. I. hotoelectron spectra of gylcidyl and thioglycidyl ethers,
Russ. J. Phys. Chem., 1985, 59, 444, In original 764. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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