Cyclopentane, 1,3-dimethyl-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3
- IUPAC Standard InChIKey: XAZKFISIRYLAEE-UHFFFAOYSA-N
- CAS Registry Number: 2453-00-1
- 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: 1,3-Dimethylcyclopentane
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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 | -1099.4 | kcal/mol | Ccb | Zubova, 1901 | Corresponding ΔfHºliquid = -37.2 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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 364.33 | K | N/A | Boord, Greenlee, et al., 1950 | Uncertainty assigned by TRC = 0.8 K |
| Tboil | 364.20 | K | N/A | Boord, Henne, et al., 1949 | Uncertainty assigned by TRC = 0.5 K |
| Tboil | 366. | K | N/A | Zelinskii, 1897 | Uncertainty assigned by TRC = 6. K |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 132.6 | K | N/A | Boord, Henne, et al., 1949 | Uncertainty assigned by TRC = 0.5 K |
| Tfus | 132.6 | K | N/A | Perilstein, 1945 | Uncertainty assigned by TRC = 2. K |
| Tfus | 136.5 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 3. K |
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 by: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.56 ± 0.05 | EI | Holmes and Lossing, 1991 |
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]
Boord, Greenlee, et al., 1950
Boord, C.E.; Greenlee, K.W.; Derfer, J.M.,
The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Wt., Am. Pet. Inst. Res. Proj. 45, Twelfth Annu. Rep., Ohio State Univ., 1950. [all data]
Boord, Henne, et al., 1949
Boord, C.E.; Henne, A.L.; Greenlee, K.W.; Perilstein, W.L.; Derfer, J.M.,
The Grignard Reagent in hydrocarbon synthesis,
Ind. Eng. Chem., 1949, 41, 609. [all data]
Zelinskii, 1897
Zelinskii, N.D.,
Experiments in the Hexamethylene Series,
Ber. Dtsch. Chem. Ges., 1897, 30, 387-91. [all data]
Perilstein, 1945
Perilstein, W.L.,
, Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1945. [all data]
Timmermans, 1927
Timmermans, J.,
The Melting Point of Organic Substances,
Bull. Soc. Chim. Belg., 1927, 36, 502. [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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
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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