Cyclopentane, methyl-
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChI: InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
- IUPAC Standard InChIKey: GDOPTJXRTPNYNR-UHFFFAOYSA-N
- CAS Registry Number: 96-37-7
- 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: Methylcyclopentane; UN 2298
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Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -32.92 ± 0.17 | kcal/mol | Ccb | Good and Smith, 1969 | ALS |
| ΔfH°liquid | -33.08 ± 0.20 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
| ΔfH°liquid | -33.42 ± 0.41 | kcal/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -33.73 kcal/mol; see Moore and Parks, 1939; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -941.28 ± 0.14 | kcal/mol | Ccb | Good and Smith, 1969 | Corresponding ΔfHºliquid = -32.92 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -941.14 ± 0.18 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -33.06 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -940.78 ± 0.40 | kcal/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -940.36 ± 0.40 kcal/mol; see Moore and Parks, 1939; Corresponding ΔfHºliquid = -33.42 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -945.6 | kcal/mol | Ccb | Zubova, 1901 | Corresponding ΔfHºliquid = -28.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 59.221 | cal/mol*K | N/A | Douslin and Huffman, 1946 | DH |
| S°liquid | 59.20 | cal/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 57.86 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 37.682 | 293.15 | Siddiqi, Svejda, et al., 1983 | DH |
| 38.031 | 299.8 | Connolly, Sage, et al., 1951 | T = 80 to 200°F.; DH |
| 37.930 | 298.15 | Douslin and Huffman, 1946 | T = 12 to 300 K.; DH |
| 37.60 | 295.7 | Huffman, Parks, et al., 1931 | T = 92 to 294 K. Value is unsmoothed experimental datum.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good and Smith, 1969
Good, W.D.; Smith, N.K.,
Enthalpies of combustion of toluene, benzene, cyclohexane, cyclohexene, methylcyclopentane, 1-methylcyclopentene, and n-hexane,
J. Chem. Eng. Data, 1969, 14, 102-106. [all data]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons,
J. Res. NBS, 1946, 37, 51-56. [all data]
Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S.,
Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins,
J. Am. Chem. Soc., 1940, 62, 1505-1507. [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]
Moore and Parks, 1939
Moore, G.E.; Parks, G.S.,
New thermodynamic data for the cyclohexane-methylcyclopentane isomerization,
J. Am. Chem. Soc., 1939, 61, 2561-2562. [all data]
Zubova, 1901
Zubova, P.,
Data about heat of combustion of compound cycle structure,
Zh. Fiz. Khim., 1901, 33, 708-722. [all data]
Douslin and Huffman, 1946
Douslin, D.R.; Huffman, H.M.,
The heat capacities, heats of transition, heats of fusion and entropies of cyclopentane, methylcyclopentane and methylcylohexane,
J. Am. Chem. Soc., 1946, 68, 173-176. [all data]
Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M.,
Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons,
J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]
Siddiqi, Svejda, et al., 1983
Siddiqi, M.A.; Svejda, P.; Kohler, F.,
A generalized van der Waals equation of state II. Excess heat capacities of mixtures containing cycloalkanes (C5,C6), methylcycloalkanes (C5,C6) and n-decane,
Ber. Bunsenges. Phys. Chem., 1983, 87, 1176-1181. [all data]
Connolly, Sage, et al., 1951
Connolly, T.J.; Sage, B.H.; Lacey, W.N.,
Isobaric heat capacities at bubble point. n-Hexane, methylcyclopentane, and n-octane,
Ind. Eng. Chem., 1951, 43, 946-950. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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