Propane, 2-(ethenyloxy)-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChI: InChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3
- IUPAC Standard InChIKey: GNUGVECARVKIPH-UHFFFAOYSA-N
- CAS Registry Number: 926-65-8
- 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: Ether, isopropyl vinyl; Isopropoxyethene; Isopropoxyethylene; Isopropyl vinyl ether; Vinyl isopropyl ether; 2-(Ethenyloxy)propane; CH2=CHOCH(CH3)2; 1-Isopropoxyethylene; 2-(vinyloxy)propane
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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: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -41.59 ± 0.53 | kcal/mol | N/A | Trofimov, Nedolya, et al., 1981 | Value computed using ΔfHliquid° value of -205±0.8 kj/mol from Trofimov, Nedolya, et al., 1981 and ΔvapH° value of 31±2 kj/mol from missing citation. |
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°liquid | -49.0 ± 0.2 | kcal/mol | Ccb | Trofimov, Nedolya, et al., 1981 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -762.8 ± 0.2 | kcal/mol | Ccb | Trofimov, Nedolya, et al., 1981 | Corresponding ΔfHºliquid = -49.0 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -760.3 ± 2.1 | kcal/mol | Ccb | Favorskii and Shostakovskii, 1943 | Corresponding ΔfHºliquid = -51.5 kcal/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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 7.5 ± 0.5 | kcal/mol | V | Trofimov, Nedolya, et al., 1981 |
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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C5H10O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.90 | PE | Batich, Heilbronner, et al., 1976 | Vertical value; LLK |
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.
Spectrum
A digitized version of this spectrum is not currently available.
Additional Data
View scan of original (hardcopy) spectrum.
| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Source reference | COBLENTZ NO. 2561 |
| Date | Not specified, most likely prior to 1970 |
| Name(s) | isopropyl vinyl ether |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Data processing | (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE) |
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
View image of digitized spectrum (can be printed in landscape orientation).
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 | Japan AIST/NIMC Database- Spectrum MS-IW-3819 |
| NIST MS number | 236419 |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Trofimov, Nedolya, et al., 1981
Trofimov, B.A.; Nedolya, N.A.; Lebedeva, N.D.; Ryadchenko, V.L.; Masalitionova, T.N.; Dobichin, S.L.; Zacheslavskaya, R.Kh.; Petrov, G.N.,
Thermochemical and quantochemical estimationof the conjungation energy of vinyl ethers.,
Izv. Akad. Nauk SSSR, Ser. Khim., 1981, 30, 752-753. [all data]
Favorskii and Shostakovskii, 1943
Favorskii, A.E.; Shostakovskii, M.F.,
Vinyl ethers. I. Synthesis and properties of vinyl ethers,
Zh. Obshch. Kim., 1943, 13, 1-20. [all data]
Batich, Heilbronner, et al., 1976
Batich, C.; Heilbronner, E.; Quinn, C.B.; Wiseman, J.R.,
The electronic structure of vinyl ethers and sulfides with interrupted conjugation examined by photoelectron spectroscopy,
Helv. Chim. Acta, 1976, 59, 512. [all data]
Notes
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- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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