Cyclopentanone
- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
- IUPAC Standard InChIKey: BGTOWKSIORTVQH-UHFFFAOYSA-N
- CAS Registry Number: 120-92-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Adipic ketone; Adipinketon; Dumasin; Ketocyclopentane; Ketopentamethylene; UN 2245; NSC 4122
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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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -47.19 ± 0.30 | kcal/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
| ΔfH°gas | -46.55 ± 0.41 | kcal/mol | Ccb | Wolf, 1972 | ALS |
| ΔfH°gas | -46.12 ± 0.44 | kcal/mol | Ccb | Sellers and Sunner, 1962 | Reanalyzed by Cox and Pilcher, 1970, Original value = -46.31 kcal/mol; ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 9.156 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Selected entropies and heat capacities agree within 2 J/mol*K with statistical values calculated by [ Shvaro O.V., 1987] except for S(1000 K) which value is about 6 J/mol*K lower than that of [ Thermodynamics Research Center, 1997]. Discrepancies with statistical calculation of [ Andreevskii D.N., 1976] amount to 4-12 J/mol*K for S(T) and 3-8 J/mol*K for Cp(T).; GT |
| 10.80 | 100. | ||
| 12.89 | 150. | ||
| 15.69 | 200. | ||
| 20.85 | 273.15 | ||
| 22.78 | 298.15 | ||
| 22.93 | 300. | ||
| 30.693 | 400. | ||
| 37.598 | 500. | ||
| 43.363 | 600. | ||
| 48.141 | 700. | ||
| 52.137 | 800. | ||
| 55.507 | 900. | ||
| 58.368 | 1000. | ||
| 60.805 | 1100. | ||
| 62.88 | 1200. | ||
| 64.67 | 1300. | ||
| 66.23 | 1400. | ||
| 67.54 | 1500. |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 27.940 | 360. | Shvaro O.V., 1987 | GT |
| 28.958 | 375. | ||
| 30.600 | 400. | ||
| 31.993 | 420. | ||
| 33.296 | 440. | ||
| 34.426 | 460. | ||
| 35.664 | 480. |
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.
Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M.,
Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups,
J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]
Wolf, 1972
Wolf, G.,
Thermochemische Untersuchungen an cyclischen Ketonen,
Helv. Chim. Acta, 1972, 55, 1446-1459. [all data]
Sellers and Sunner, 1962
Sellers, P.; Sunner, S.,
Heats of combustion of cyclic ketones and alcohols,
Acta Chem. Scand., 1962, 16, 46-52. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]
Shvaro O.V., 1987
Shvaro O.V.,
Thermodynamic properties of cyclopentanone and cyclohexanone,
Inzh.-Fiz. Zh., 1987, 52, 807-812. [all data]
Andreevskii D.N., 1976
Andreevskii D.N.,
Thermodynamic properties of C4-C6 cyclic ketones,
Zh. Prikl. Khim., 1976, 49, 1819-1823. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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