Propane, 1-(ethenyloxy)-2-methyl-
- Formula: C6H12O
- Molecular weight: 100.1589
- IUPAC Standard InChIKey: OZCMOJQQLBXBKI-UHFFFAOYSA-N
- CAS Registry Number: 109-53-5
- 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, isobutyl vinyl; Isobutanol vinyl ether; Isobutyl vinyl ether; IVE; Lutanol LR 8500; Vinoflex MO 400; Vinyl isobutyl ether; 2-Methyl-1-vinyloxypropane; 1-(Vinyloxy)-2-methyl-propane; 1-(Ethenyloxy)-2-methylpropane; Isobutoxyethene; NSC 8265
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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 |
---|---|---|---|---|---|
ΔcH°liquid | -912.5 ± 2.6 | kcal/mol | Ccb | Favorskii and Shostakovskii, 1943 | Corresponding ΔfHºliquid = -61.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
55.40 | 298.15 | Schildknecht, Zoss, et al., 1947 | One value, no details.; DH |
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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 356.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 355.4 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.260 | kcal/mol | N/A | Majer and Svoboda, 1985 |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.34 | 355.4 | N/A | Majer and Svoboda, 1985 | |
8.94 | 281. | A | Stephenson and Malanowski, 1987 | Based on data from 266. to 357. K.; AC |
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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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- 19 |
NIST MS number | 229259 |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 120. | 655. | García-Raso, Martínez-Castro, et al., 1987 | N2, Supelcoport; Column length: 3. m |
Packed | Apiezon L | 120. | 634. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 633. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 120. | 800. | García-Raso, Martínez-Castro, et al., 1987 | N2, Supelcoport; Column length: 25. m; Column diameter: 0.22 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 655. | Chen, 2008 | Program: not specified |
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.
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]
Schildknecht, Zoss, et al., 1947
Schildknecht, C.E.; Zoss, A.O.; McKinley, C.,
Vinyl alkyl ethers,
Ind. Eng. Chem., 1947, 39, 180-186. [all data]
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]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
García-Raso, Martínez-Castro, et al., 1987
García-Raso, A.; Martínez-Castro, I.; Páez, M.I.; Sanz, J.; García-Raso, J.; Saura-Calixto, F.,
Gas Chromatographic Behaviour of Carbohydrate Trimethylsilyl Ethers. I. Aldopentoses,
J. Chromatogr., 1987, 398, 9-20, https://doi.org/10.1016/S0021-9673(01)96491-X
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Chen, 2008
Chen, H.-F.,
Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression,
Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003
. [all data]
Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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