Cyclopentene
- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChIKey: LPIQUOYDBNQMRZ-UHFFFAOYSA-N
- CAS Registry Number: 142-29-0
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 8.5 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | ALS |
ΔfH°gas | 8.2 | kcal/mol | Eqk | Furuyama, Golden, et al., 1970 | ALS |
ΔfH°gas | 7.79 | kcal/mol | N/A | Labbauf and Rossini, 1961 | Value computed using ΔfHliquid° value of 4.27±0.63 kj/mol from Labbauf and Rossini, 1961 and ΔvapH° value of 28.37 kj/mol from missing citation.; DRB |
ΔfH°gas | 7.93 | kcal/mol | N/A | Epstein, Pitzer, et al., 1949 | Value computed using ΔfHliquid° value of 4.85±0.67 kj/mol from Epstein, Pitzer, et al., 1949 and ΔvapH° value of 28.37 kj/mol from missing citation.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 69.230 | cal/mol*K | N/A | Beckett C.W., 1948 | GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.585 | 50. | Dorofeeva O.V., 1986 | Although S(298.15 K) value is 1.6 J/mol*K larger than that obtained from calorimetric data [ Beckett C.W., 1948] and calculated in previous works [ Beckett C.W., 1948, Epstein M.B., 1949, Furuyama S., 1970, Draeger J.A., 1983], it is selected here because of using the most reliable vibrational frequencies in [ Dorofeeva O.V., 1986]. The recommended thermodynamic functions are in good agreement with results of detail force-field calculations [ Lenz T.G., 1989, Lenz T.G., 1990]. Discrepancies with above mentioned calculations amount to 1.6-9.1 and 0.8-6.2 J/mol*K for S(T) and Cp(T), respectively.; GT |
9.649 | 100. | ||
10.93 | 150. | ||
13.08 | 200. | ||
17.64 | 273.15 | ||
19.43 ± 0.48 | 298.15 | ||
19.56 | 300. | ||
26.788 | 400. | ||
33.219 | 500. | ||
38.571 | 600. | ||
43.009 | 700. | ||
46.730 | 800. | ||
49.883 | 900. | ||
52.572 | 1000. | ||
54.876 | 1100. | ||
56.855 | 1200. | ||
58.561 | 1300. | ||
60.036 | 1400. | ||
61.312 | 1500. |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Allinger, Dodziuk, et al., 1982
Allinger, N.L.; Dodziuk, H.; Rogers, D.W.; Naik, S.N.,
Heats of hydrogenation and formation of some 5-membered ring compounds by molecular mechanics calculations and direct measurements,
Tetrahedron, 1982, 38, 1593-1597. [all data]
Furuyama, Golden, et al., 1970
Furuyama, S.; Golden, D.M.; Benson, S.W.,
Thermochemistry of cyclopentene and cyclopentadiene from studies of gas-phase equilibria,
J. Chem. Thermodyn., 1970, 2, 161-169. [all data]
Labbauf and Rossini, 1961
Labbauf, A.; Rossini, F.D.,
Heats of combustion, formation, and hydrogenation of 14 selected cyclomonoolefin hydrocarbons,
J. Phys. Chem., 1961, 65, 476-480. [all data]
Epstein, Pitzer, et al., 1949
Epstein, M.B.; Pitzer, K.S.; Rossini, F.D.,
Heats, equilibrium constants, and free energies of formation of cyclopentene and cyclohexene,
J. Res. NBS, 1949, 42, 379-382. [all data]
Beckett C.W., 1948
Beckett C.W.,
The thermodynamic properties and molecular structure of cyclopentene and cyclohexene,
J. Am. Chem. Soc., 1948, 70, 4227-4230. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V.,
Thermodynamic properties of twenty-one monocyclic hydrocarbons,
J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]
Epstein M.B., 1949
Epstein M.B.,
Heats, equilibrium constants, and free energies of formation of cyclopentene and cyclohexene,
J. Res. Nat. Bur. Stand., 1949, 42, 379-382. [all data]
Furuyama S., 1970
Furuyama S.,
Thermochemistry of cyclopentene and cyclopentadiene from studies of gas-phase equilibria,
J. Chem. Thermodyn., 1970, 2, 161-169. [all data]
Draeger J.A., 1983
Draeger J.A.,
Chemical thermodynamic properties of molecules that undergo inversion. I. Aniline, methylamine, cyclopropylamine, and cyclopentene,
J. Chem. Thermodyn., 1983, 15, 367-376. [all data]
Lenz T.G., 1989
Lenz T.G.,
Force-field calculations giving accurate conformation, Hf(T), S(T), and Cp(T) for unsaturated acyclic and cyclic hydrocarbons,
J. Phys. Chem., 1989, 93, 1588-1592. [all data]
Lenz T.G., 1990
Lenz T.G.,
Force field calculation of equilibrium thermodynamic properties: Diels-Alder reaction of 1,3-butadiene and ethylene and Diels-Alder dimerization of 1,3-butadiene,
J. Comput. Chem., 1990, 11, 351-360. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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