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
View 3d structure (requires JavaScript / HTML 5) - Other names: Methylcyclopentane; UN 2298
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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:
DRB - Donald R. Burgess, Jr.
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 | -25.33 | kcal/mol | N/A | Good and Smith, 1969 | Value computed using ΔfHliquid° value of -137.7±0.7 kj/mol from Good and Smith, 1969 and ΔvapH° value of 31.7 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
| ΔfH°gas | -25.50 ± 0.20 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
| ΔfH°gas | -25.84 | kcal/mol | N/A | Moore, Renquist, et al., 1940 | Value computed using ΔfHliquid° value of -139.8±1.7 kj/mol from Moore, Renquist, et al., 1940 and ΔvapH° value of 31.7 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.35 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Selected values of S(T) and Cp(T) are in close agreement with those calculated by [ Scott D.W., 1960] at low temperatures. Discrepancies increase up to 1.8 J/mol*K at 1000-1500 K.; GT |
| 12.67 | 100. | ||
| 14.97 | 150. | ||
| 17.87 | 200. | ||
| 23.81 | 273.15 | ||
| 26.17 | 298.15 | ||
| 26.36 | 300. | ||
| 36.21 | 400. | ||
| 45.15 | 500. | ||
| 52.65 | 600. | ||
| 58.94 | 700. | ||
| 64.20 | 800. | ||
| 68.69 | 900. | ||
| 72.51 | 1000. | ||
| 75.79 | 1100. | ||
| 78.61 | 1200. | ||
| 81.02 | 1300. | ||
| 83.13 | 1400. | ||
| 84.94 | 1500. | ||
| 88.53 | 1750. | ||
| 91.09 | 2000. | ||
| 93.00 | 2250. | ||
| 94.43 | 2500. | ||
| 95.53 | 2750. | ||
| 96.39 | 3000. |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 29.694 ± 0.060 | 333.20 | McCullough J.P., 1959 | GT |
| 32.555 ± 0.065 | 362.55 | ||
| 36.365 ± 0.072 | 402.35 | ||
| 39.486 ± 0.079 | 436.25 | ||
| 42.584 ± 0.086 | 471.05 |
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.
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]
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]
Scott D.W., 1960
Scott D.W.,
Chemical thermodynamic properties of methylcyclopentane and 1-cis-3-dimethylcyclopentane,
J. Phys. Chem., 1960, 64, 906-908. [all data]
McCullough J.P., 1959
McCullough J.P.,
Thermodynamics of cyclopentane, methylcyclopentane and 1,cis-3-dimethylcyclopentane: verification of the concept of pseudorotation,
J. Am. Chem. Soc., 1959, 81, 5880-5883. [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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