Cyclobutane, ethyl-
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChIKey: NEZRFXZYPAIZAD-UHFFFAOYSA-N
- CAS Registry Number: 4806-61-5
- 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: Ethylcyclobutane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -6.6 ± 0.2 | kcal/mol | Cm | Fuchs and Hallman, 1983 | ALS |
ΔfH°gas | -6.29 ± 0.27 | kcal/mol | Ccb | Good, Moore, et al., 1974 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.680 | 50. | Thermodynamics Research Center, 1997 | p=1 bar.; GT |
13.73 | 100. | ||
17.33 | 150. | ||
20.87 | 200. | ||
27.03 | 273.15 | ||
29.35 | 298.15 | ||
29.52 | 300. | ||
38.89 | 400. | ||
47.18 | 500. | ||
54.09 | 600. | ||
59.87 | 700. | ||
64.77 | 800. | ||
68.95 | 900. | ||
72.54 | 1000. | ||
75.65 | 1100. | ||
78.35 | 1200. | ||
80.66 | 1300. | ||
82.70 | 1400. | ||
84.44 | 1500. | ||
87.93 | 1750. | ||
90.46 | 2000. | ||
92.35 | 2250. | ||
93.76 | 2500. | ||
94.86 | 2750. | ||
95.72 | 3000. |
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 | -14.09 ± 0.18 | kcal/mol | Ccb | Good, Moore, et al., 1974 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -960.11 ± 0.16 | kcal/mol | Ccb | Good, Moore, et al., 1974 | Corresponding ΔfHºliquid = -14.09 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 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
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 343.8 ± 0.1 | K | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 130.2 ± 0.4 | K | AVG | N/A | Average of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.6 ± 0.3 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.852 | 343.9 | Majer and Svoboda, 1985 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: Sharon G. Lias and Joel F. Liebman
View reactions leading to C6H12+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.38 ± 0.05 | EI | Holmes and Lossing, 1991 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fuchs and Hallman, 1983
Fuchs, R.; Hallman, J.H.,
Heats of vaporization of some monosubstituted cyclopropane, cyclobutane, and cyclopentane derivatives. Some observations on the enthalpies of isodesmic ring opening reactions of cyclobutane derivatives,
Can. J. Chem., 1983, 61, 503-505. [all data]
Good, Moore, et al., 1974
Good, W.D.; Moore, R.T.; Osborn, A.G.; Douslin, D.R.,
The enthalpies of formation of ethylcyclobutane, methylenecyclobutane, and 1,1-dimethylcyclopropane,
J. Chem. Thermodyn., 1974, 6, 303-310. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [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]
Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P.,
Ionization energies of homologous organic compounds and correlation with molecular size,
Org. Mass Spectrom., 1991, 26, 537. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Tfus Fusion (melting) point 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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