Cyclohexane, 1,4-dimethyl-, trans-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChIKey: QRMPKOFEUHIBNM-ZKCHVHJHSA-N
- CAS Registry Number: 2207-04-7
- 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. - Stereoisomers:
- Other names: trans-1,4-Dimethylcyclohexane; 1,trans-4-Dimethylcyclohexane; 1,4-Dimethylcyclohexane, trans-; Cyclohexane, trans-1,4-dimethyl-; t-1,4-Dimethylcyclohexane; 1,4(trans)-dimethylcyclohexane
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Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tboil | 392.6 ± 0.6 | K | AVG | N/A | Average of 19 out of 20 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 237. ± 4. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 236.22 | K | N/A | Huffman, Todd, et al., 1949 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 5877.7 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 590. | K | N/A | Majer and Svoboda, 1985 | |
Tc | 587.7 | K | N/A | Powell, Swinton, et al., 1970 | Uncertainty assigned by TRC = 0.58 K; Visual in metal block oven, TE cal. by measurement of Tc of alkanes and benzene, hexafluorobenzene and cyclohexane. See R. J. Powell and F.J.Swinton, 1970 for purification.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.070 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 8.99 | kcal/mol | N/A | Kusano and Saito, 1975 | AC |
ΔvapH° | 9.06 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 9.54 ± 0.02 | kcal/mol | C | Osborne and Ginnings, 1947 | AC |
ΔvapH° | 9.051 | kcal/mol | C | Osborne and Ginnings, 1947, 2 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.782 | 392.5 | N/A | Majer and Svoboda, 1985 | |
8.77 | 328. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 313. to 395. K. See also Willingham, Taylor, et al., 1945.; AC |
8.51 ± 0.02 | 341. | C | McCullough, Person, et al., 1951 | AC |
8.27 ± 0.02 | 357. | C | McCullough, Person, et al., 1951 | AC |
8.01 ± 0.02 | 377. | C | McCullough, Person, et al., 1951 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 377. | 12.64 | 0.2755 | 590. | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.94720 | 236.22 | Huffman, Todd, et al., 1949, 2 | DH |
2.949 | 236.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.48 | 236.22 | Huffman, Todd, et al., 1949, 2 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Huffman, Todd, et al., 1949
Huffman, H.M.; Todd, S.S.; Oliver, G.D.,
Low Temperature Thermal Data on Eight C8H16 Alkylcyclohexanes,
J. Am. Chem. Soc., 1949, 71, 584. [all data]
Daubert, 1996
Daubert, T.E.,
Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes,
J. Chem. Eng. Data, 1996, 41, 365-372. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Powell, Swinton, et al., 1970
Powell, R.J.; Swinton, F.L.; Young, C.L.,
The thermodynamic properties of fluorocarbon-hycrocarbon mixtures 3. Gas- Liquid critical temperatures and a comparison with the theory of Rowlinson and Sutton,
J. Chem. Thermodyn., 1970, 2, 105. [all data]
Kusano and Saito, 1975
Kusano, K.; Saito, Y.,
, Preprints 33rd Ann. Meeting Chem. Soc. Japan, Japan, 1975, 123. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Osborne and Ginnings, 1947
Osborne, Nathan S.; Ginnings, Defoe C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. RES. NATL. BUR. STAN., 1947, 39, 5, 453-17, https://doi.org/10.6028/jres.039.031
. [all data]
Osborne and Ginnings, 1947, 2
Osborne, N.S.; Ginnings, D.C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. Res. NBS, 1947, 39, 453-477. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009
. [all data]
McCullough, Person, et al., 1951
McCullough, J.P.; Person, W.B.; Spitzer, Ralph,
The Heats of Vaporization and Vapor Heat Capacities of Some Dimethylcyclohexanes 1,
J. Am. Chem. Soc., 1951, 73, 9, 4069-4071, https://doi.org/10.1021/ja01153a003
. [all data]
Huffman, Todd, et al., 1949, 2
Huffman, H.M.; Todd, S.S.; Oliver, G.D.,
Low temperature thermal data on eight C8H16 alkylcyclohexanes,
J. Am. Chem. Soc., 1949, 71, 584-592. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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