Cyclohexane, methyl-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
- IUPAC Standard InChIKey: UAEPNZWRGJTJPN-UHFFFAOYSA-N
- CAS Registry Number: 108-87-2
- 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. - Isotopologues:
- Other names: Cyclohexylmethane; Hexahydrotoluene; Methylcyclohexane; Sextone B; Toluene hexahydride; Hexahydroxytoluene; Metylocykloheksan; Toluene, hexahydro-; UN 2296; NSC 9391
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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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -154.8 ± 1.0 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
| ΔfH°gas | -159.9 | kJ/mol | N/A | Moore, Renquist, et al., 1940 | Value computed using ΔfHliquid° value of -195.3±1.9 kj/mol from Moore, Renquist, et al., 1940 and ΔvapH° value of 35.4 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 343.30 | J/mol*K | N/A | Beckett C.W., 1947 | GT |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 36.50 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended S(T) and Cp(T) values differ significantly from earlier statistically calculated values [ Beckett C.W., 1947] at high temperatures (6 and 7 J/mol*K, respectively, at 1500 K).; GT |
| 52.01 | 100. | ||
| 70.55 | 150. | ||
| 90.31 | 200. | ||
| 123.5 | 273.15 | ||
| 135.8 | 298.15 | ||
| 136.7 | 300. | ||
| 186.0 | 400. | ||
| 229.9 | 500. | ||
| 266.8 | 600. | ||
| 297.6 | 700. | ||
| 323.5 | 800. | ||
| 345.4 | 900. | ||
| 364.1 | 1000. | ||
| 380.1 | 1100. | ||
| 393.8 | 1200. | ||
| 405.6 | 1300. | ||
| 415.8 | 1400. | ||
| 424.5 | 1500. | ||
| 441.8 | 1750. | ||
| 454.2 | 2000. | ||
| 463.3 | 2250. | ||
| 470.1 | 2500. | ||
| 475.4 | 2750. | ||
| 479.5 | 3000. |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 180.75 | 390. | Spitzer R., 1946 | Please also see Montgomery J.B., 1942.; GT |
| 184.6 ± 1.7 | 398. | ||
| 189.12 | 410. | ||
| 203.4 ± 2.1 | 439. | ||
| 222.8 ± 2.1 | 480. | ||
| 241.9 ± 2.5 | 527. |
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.
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]
Beckett C.W., 1947
Beckett C.W.,
The thermodynamic properties and molecular structure of cyclohexane, methylcyclohexane, ethylcyclohexane, and seven dimethylcyclohexanes,
J. Am. Chem. Soc., 1947, 69, 2488-2495. [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]
Spitzer R., 1946
Spitzer R.,
The heat capacity of gaseous cyclopentane, cyclohexane and methylcyclohexane,
J. Am. Chem. Soc., 1946, 68, 2537-2538. [all data]
Montgomery J.B., 1942
Montgomery J.B.,
The heat capacity of organic vapors. IV. Benzene, fluorobenzene, toluene, cyclohexane, methylcyclohexane and cyclohexene,
J. Am. Chem. Soc., 1942, 64, 2375-2377. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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