Butane, 1-(ethenyloxy)-
- Formula: C6H12O
- Molecular weight: 100.1589
- IUPAC Standard InChIKey: UZKWTJUDCOPSNM-UHFFFAOYSA-N
- CAS Registry Number: 111-34-2
- 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. - Other names: Ether, butyl vinyl; n-Butyl vinyl ether; Butoxyethene; Butyl vinyl ether; BVE; Vinyl butyl ether; Vinyl n-butyl ether; Butoxyethylene; n-C4H9OCH=CH2; Ethenyl n-butyl ether; 1-(Vinyloxy)-butane; 1-(Ethenyloxy)butane; NSC 8264; 1-Butoxyethylene
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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 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 |
---|---|---|---|---|---|
ΔfH°gas | -179.2 ± 1.2 | kJ/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
ΔfH°gas | -182.4 | kJ/mol | N/A | Trofimov, Nedolya, et al., 1981 | Value computed using ΔfHliquid° value of -219.0±0.8 kj/mol from Trofimov, Nedolya, et al., 1981 and ΔvapH° value of 36.6 kj/mol from Steele, Chirico, et al., 1996.; DRB |
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 |
---|---|---|---|---|---|
ΔfH°liquid | -215.8 ± 1.2 | kJ/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
ΔfH°liquid | -219. ± 0.8 | kJ/mol | Ccb | Trofimov, Nedolya, et al., 1981 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3860.2 ± 1.1 | kJ/mol | Ccr | Steele, Chirico, et al., 1996 | Corresponding ΔfHºliquid = -215.84 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3857. ± 0.8 | kJ/mol | Ccb | Trofimov, Nedolya, et al., 1981 | Corresponding ΔfHºliquid = -219. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
231.8 | 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 367.0 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 366. | K | N/A | American Tokyo Kasei, 1988 | BS |
Tboil | 367.1 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 540.5 | K | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 32.00 | bar | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 2.50 bar; from extraploation of obs. vapor pressures to Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.607 | mol/l | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 0.12 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 36. ± 2. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
31.58 | 367.1 | N/A | Majer and Svoboda, 1985 | |
35.2 ± 0.2 | 320. | EB | Steele, Chirico, et al., 1996 | Based on data from 311. to 403. K.; AC |
32.5 ± 0.2 | 360. | EB | Steele, Chirico, et al., 1996 | Based on data from 311. to 403. K.; AC |
29.6 ± 0.2 | 400. | EB | Steele, Chirico, et al., 1996 | Based on data from 311. to 403. K.; AC |
36.1 | 284. | A | Stephenson and Malanowski, 1987 | Based on data from 269. to 368. K.; AC |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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 | Japan AIST/NIMC Database- Spectrum MS-NW-1216 |
NIST MS number | 230772 |
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. | 695. | García-Raso, Martínez-Castro, et al., 1987 | N2, Supelcoport; Column length: 3. m |
Packed | Apiezon L | 120. | 671. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 679. | 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. | 858. | García-Raso, Martínez-Castro, et al., 1987 | N2, Supelcoport; Column length: 25. m; Column diameter: 0.22 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 687. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 695. | Chen, 2008 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.,
Thermodynamic properties and ideal-gas enthalpies of formation for butyl vinyl ether, 1,2-dimethoxyethane, methyl glycolate, bicyclo[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, di-tert-butyl ether, and hexane-1,6-diol,
J. Chem. Eng. Data, 1996, 41, 1285-1302. [all data]
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]
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]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [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]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [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 Pc Critical pressure Tboil Boiling point Tc Critical temperature 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 ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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