Cyclohexane, 1,4-dimethyl-, cis-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChI: InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8+
- IUPAC Standard InChIKey: QRMPKOFEUHIBNM-OCAPTIKFSA-N
- CAS Registry Number: 624-29-3
- 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: cis-1,4-Dimethylcyclohexane; 1,cis-4-Dimethylcyclohexane; 1,4-Dimethylcyclohexane, cis-; Cyclohexane, cis-1,4-dimethyl-; 1,4(cis)-dimethylcyclohexane
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Gas phase thermochemistry data
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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 | 370.87 | J/mol*K | N/A | Huffman H.M., 1949 |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 39.75 | 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]. |
| 65.27 | 100. | ||
| 85.65 | 150. | ||
| 104.9 | 200. | ||
| 140.1 | 273.15 | ||
| 153.8 | 298.15 | ||
| 154.8 | 300. | ||
| 210.7 | 400. | ||
| 261.1 | 500. | ||
| 303.3 | 600. | ||
| 338.5 | 700. | ||
| 368.2 | 800. | ||
| 393.4 | 900. | ||
| 414.9 | 1000. | ||
| 433.4 | 1100. | ||
| 449.3 | 1200. | ||
| 463.0 | 1300. | ||
| 474.7 | 1400. | ||
| 484.9 | 1500. | ||
| 504.9 | 1750. | ||
| 519.3 | 2000. | ||
| 529.8 | 2250. | ||
| 537.6 | 2500. | ||
| 543.6 | 2750. | ||
| 548.2 | 3000. |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
=
By formula: C8H16 = C8H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.5 ± 0.4 | kJ/mol | Eqk | Mann, 1968 | gas phase; At 593K |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| ≤9.93 ± 0.05 | EI | Herzschuh and Sicker, 1981 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H11+ | 11.16 ± 0.05 | C2H5 | EI | Herzschuh and Sicker, 1981 | |
| C7H13+ | 10.78 ± 0.05 | CH3 | EI | Herzschuh and Sicker, 1981 |
References
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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]
Mann, 1968
Mann, G.,
Conformation and physical data of alkanes and cyclanes. IV. Conformation energy of gauche-anticonformers,
Tetrahedron, 1968, 24, 6495-65. [all data]
Herzschuh and Sicker, 1981
Herzschuh, R.; Sicker, A.,
Stereochemische einflusse auf die ionisations- und auftrittsenergien cis/trans-isomerer dimethylcycloalkane,
Z. Chem., 1981, 21, 409. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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