Cyclopentanone, 3-methyl-
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChI: InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
- IUPAC Standard InChIKey: AOKRXIIIYJGNNU-UHFFFAOYSA-N
- CAS Registry Number: 1757-42-2
- 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. - Stereoisomers:
- Other names: 3-Methyl-1-cyclopentanone; 3-Methylcyclopentanone; DL-3-methylcyclopentanone
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Condensed phase thermochemistry data
Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -840.3 | kcal/mol | Ccb | Zubova, 1901 | Corresponding ΔfHºliquid = -65.6 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 418.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 417.25 | K | N/A | Cook, 1952 | Uncertainty assigned by TRC = 0.4 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 215.15 | K | N/A | Cook, 1952 | Uncertainty assigned by TRC = 3. K; TRC |
| Tfus | 214.75 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 0.4 K; TRC |
Gas phase ion energetics data
Go To: Top, 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess
View reactions leading to C6H10O+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Reference | Comment |
|---|---|---|
| 0.002994 ± 0.000087 | Hammer, Diri, et al., 2003 | B |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H7O+ | 10.38 | CH3 | EI | Alai, Attardo, et al., 1985 | LBLHLM |
References
Go To: Top, 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.
Zubova, 1901
Zubova, P.,
Data about heat of combustion of compound cycle structure,
Zh. Fiz. Khim., 1901, 33, 708-722. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Cook, 1952
Cook, N.C.,
, Unpublished, Final Rep. Stand. Proj. on Oxygenated Compounds, Penn. State Univ., College Park, PA, 1952. [all data]
Timmermans, 1952
Timmermans, J.,
Freezing points of organic compounds. VVI New determinations.,
Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]
Hammer, Diri, et al., 2003
Hammer, N.I.; Diri, K.; Jordan, K.D.; Desfrancois, C.; Compton, R.N.,
Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules,
J. Chem. Phys., 2003, 119, 7, 3650-3660, https://doi.org/10.1063/1.1590959
. [all data]
Alai, Attardo, et al., 1985
Alai, M.; Attardo, G.G.; Rye, R.T.B.,
Formation threshold structures of some [C5H7O]+ ions: Use of general schemes for estimation of heats of formation of gas phase ions,
Can. J. Chem., 1985, 63, 833. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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