Cyclohexane, 1,2-dimethyl-, cis-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChIKey: KVZJLSYJROEPSQ-OCAPTIKFSA-N
- CAS Registry Number: 2207-01-4
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: cis-1,2-Dimethylcyclohexane; 1,cis-2-Dimethylcyclohexane; Cyclohexane, 1,cis-2-dimethyl-; 1,2-cis-DimethyIcyclohexane; 1,2-Dimethylcyclohexane, cis; c-1,2-Dimethylcyclohexane
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- Other data available:
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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 | 89.469 | cal/mol*K | N/A | Huffman H.M., 1949 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.431 | 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]. |
15.42 | 100. | ||
20.26 | 150. | ||
24.71 | 200. | ||
32.91 | 273.15 | ||
36.14 | 298.15 | ||
36.40 | 300. | ||
49.78 | 400. | ||
61.97 | 500. | ||
72.23 | 600. | ||
80.78 | 700. | ||
87.98 | 800. | ||
94.10 | 900. | ||
99.31 | 1000. | ||
103.8 | 1100. | ||
107.6 | 1200. | ||
110.8 | 1300. | ||
113.6 | 1400. | ||
116.0 | 1500. | ||
120.7 | 1750. | ||
124.1 | 2000. | ||
126.6 | 2250. | ||
128.4 | 2500. | ||
129.8 | 2750. | ||
130.9 | 3000. |
Condensed 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°liquid | -1248. ± 0.43 | kcal/mol | Ccb | Johnson, Prosen, et al., 1947 | Corresponding ΔfHºliquid = -51. kcal/mol (simple calculation by NIST; no Washburn corrections) |
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: 3H2 + C8H10 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -46.51 ± 0.20 | kcal/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -47.25 ± 0.20 kcal/mol; At 355 °K |
By formula: C8H16 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.6 ± 0.1 | kcal/mol | Eqk | Mann, 1968 | gas phase; At 593K |
By formula: C8H16 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.7 ± 0.3 | kcal/mol | Eqk | Anfilogova, Balenkova, et al., 1974 | gas phase |
Henry's Law 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0028 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0028 | L | N/A | ||
0.0028 | V | N/A |
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]
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]
Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E.,
Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons,
J. Am. Chem. Soc., 1937, 59, 831-841. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]
Anfilogova, Balenkova, et al., 1974
Anfilogova, S.N.; Balenkova, E.S.; Dmitriev, A.B.,
Relative stability of cis- and trans-1,2-dimethylcycloheptanes and 1,2-dimethylcyclooctanes,
Neftekhimiya, 1974, 14, 673-676. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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