Cyclohexane, 1,3-dimethyl-, trans-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChIKey: SGVUHPSBDNVHKL-YUMQZZPRSA-N
- CAS Registry Number: 2207-03-6
- 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: trans-1,3-Dimethylcyclohexane; 1,trans-3-Dimethylcyclohexane; 1,3-Dimethylcyclohexane, trans; 1,3-Dimethyl(trans)-cyclohexane; Cyclohexane, trans-1,3-dimethyl-; 1,3(trans)-dimethylcyclohexane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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 | 376.39 | J/mol*K | N/A | Huffman H.M., 1949 |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
39.47 | 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]. |
64.59 | 100. | ||
85.04 | 150. | ||
104.3 | 200. | ||
139.6 | 273.15 | ||
153.4 | 298.15 | ||
154.4 | 300. | ||
211.0 | 400. | ||
262.3 | 500. | ||
305.5 | 600. | ||
341.6 | 700. | ||
371.9 | 800. | ||
397.5 | 900. | ||
419.2 | 1000. | ||
437.6 | 1100. | ||
453.3 | 1200. | ||
466.7 | 1300. | ||
478.1 | 1400. | ||
488.0 | 1500. | ||
507.2 | 1750. | ||
520.8 | 2000. | ||
530.7 | 2250. | ||
538.2 | 2500. | ||
543.9 | 2750. | ||
548.3 | 3000. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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 | -5219.0 ± 1.7 | kJ/mol | Ccb | Johnson, Prosen, et al., 1947 | Corresponding ΔfHºliquid = -215.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 276.27 | 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 |
---|---|---|---|
212.84 | 298.15 | Huffman, Todd, et al., 1949 | T = 12 to 310 K.; DH |
Phase change 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 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 | 396. ± 4. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 406.83 | K | N/A | Streiff, Murphy, et al., 1947 | Uncertainty assigned by TRC = 0.06 K; TRC |
Tfus | 179.76 | K | N/A | Forziati, Glasgow, et al., 1946 | Uncertainty assigned by TRC = 0.02 K; called 1,cis-3-cimethylcyclohexane in the article; TRC |
Tfus | 196.45 | K | N/A | Anonymous, 1941 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 183.06 | K | N/A | Huffman, Todd, et al., 1949, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 183.030 | K | N/A | Huffman, 1948 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 183.060 | K | N/A | Huffman, 1948 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 39.21 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 39.1 | kJ/mol | N/A | Kusano and Saito, 1975 | AC |
ΔvapH° | 39.2 | kJ/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 39.2 ± 0.1 | kJ/mol | C | Osborne and Ginnings, 1947 | AC |
ΔvapH° | 39.19 | kJ/mol | C | Osborne and Ginnings, 1947, 2 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
33.39 | 397.6 | N/A | Majer and Svoboda, 1985 | |
37.9 | 329. | A | Stephenson and Malanowski, 1987 | Based on data from 314. to 400. K.; AC |
37.4 | 329. | MM | Willingham, Taylor, et al., 1945 | Based on data from 314. to 394. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.8659 | 183.06 | Huffman, Todd, et al., 1949 | DH |
9.87 | 183.1 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
53.89 | 183.06 | Huffman, Todd, et al., 1949 | DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 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]
Streiff, Murphy, et al., 1947
Streiff, A.J.; Murphy, E.T.; Cahill, J.C.; Flanagan, H.F.; Sedlak, V.A.; Willingham, C.B.; Rossini, F.D.,
Purification, Purity, and Freezing Points of 8 Nonanes, 11 Alkyl- cyclopentanes, 6 Alkylcyclohexanes, and 4 Butylbenzenes of the API-NBS Series,
J. Res. Natl. Bur. Stand. (U. S.), 1947, 38, 53. [all data]
Forziati, Glasgow, et al., 1946
Forziati, A.F.; Glasgow, A.R.; Willingham, C.B.; Rossini, F.D.,
Specification adn Properties of 29 Paraffin, 4 Alkylcyclopentanes, 10 Alkylcyclohexanes and 8 Alkylbenzene Hydrocarbons,
J. Res. Natl. Bur. Stand. (U. S.), 1946, 36, 129. [all data]
Anonymous, 1941
Anonymous, R.,
, Am. Pet. Inst. Hydrocarbon Res. Proj., Third Annu. Rep., Ohio State Univ., Aug. 31, 1941. [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. [all data]
Huffman, 1948
Huffman, H.M.,
Personal Commun., U. S. Bur. Mines, Bartlesville, OK, 1948. [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]
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]
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions 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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