Cyclohexane, 1,2-dimethyl-, trans-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChI: InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
- IUPAC Standard InChIKey: KVZJLSYJROEPSQ-YUMQZZPRSA-N
- CAS Registry Number: 6876-23-9
- 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-1,2-Dimethylcyclohexane; 1,trans-2-Dimethylcyclohexane; 1,2-Dimethylcyclohexane, trans-; 1,2-Dimethyl(trans)-cyclohexane; 1,2-trans-Dimethylcyclohexane; Cyclohexane, trans-1,2-dimethyl-; t-1,2-Dimethylcyclohexane; NSC 74158
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°gas | 371.33 | J/mol*K | N/A | Huffman H.M., 1949 |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 39.58 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. There is an appreciable difference, mainly at high temperatures, with values estimated earlier by a method of increments [ Beckett C.W., 1947]. |
| 64.88 | 100. | ||
| 85.40 | 150. | ||
| 105.1 | 200. | ||
| 141.4 | 273.15 | ||
| 155.6 | 298.15 | ||
| 156.6 | 300. | ||
| 214.6 | 400. | ||
| 266.7 | 500. | ||
| 310.3 | 600. | ||
| 346.2 | 700. | ||
| 376.1 | 800. | ||
| 401.0 | 900. | ||
| 422.0 | 1000. | ||
| 439.8 | 1100. | ||
| 454.9 | 1200. | ||
| 467.8 | 1300. | ||
| 478.8 | 1400. | ||
| 488.3 | 1500. | ||
| 507.0 | 1750. | ||
| 520.4 | 2000. | ||
| 530.2 | 2250. | ||
| 537.6 | 2500. | ||
| 543.4 | 2750. | ||
| 547.8 | 3000. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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 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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -5216.5 ± 1.8 | kJ/mol | Ccb | Johnson, Prosen, et al., 1947 | Corresponding ΔfHºliquid = -218.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 273.22 | J/mol*K | N/A | Huffman, Todd, et al., 1949 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 209.41 | 298.15 | Huffman, Todd, et al., 1949 | T = 12 to 310 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, 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.
Huffman H.M., 1949
Huffman H.M.,
Low-temperature thermal data on eight C8H16 alkylcyclohexanes,
J. Am. Chem. Soc., 1949, 71, 584-592. [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]
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]
Johnson, Prosen, et al., 1947
Johnson, W.H.; Prosen, E.J.; Rossini, F.D.,
Heats of combustion and isomerization of the eight C8H16 alkylcyclohexanes,
J. Res. NBS, 1947, 39, 49-52. [all data]
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, 584-592. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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