Cyclohexane, 1,4-dimethyl-, trans-

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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
gas87.450cal/mol*KN/AHuffman H.M., 1949 

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.53450.Thermodynamics Research Center, 1997p=1 bar. There is an appreciable difference, mainly at high temperatures, with values estimated earlier by a method of increments [ Beckett C.W., 1947].
15.68100.
20.54150.
25.14200.
33.60273.15
36.90298.15
37.14300.
50.65400.
62.81500.
73.02600.
81.50700.
88.67800.
94.74900.
99.931000.
104.31100.
108.21200.
111.41300.
114.21400.
116.61500.
121.31750.
124.62000.
127.02250.
128.82500.
130.22750.
131.23000.

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 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
Δcliquid-1245.78 ± 0.41kcal/molCcbJohnson, Prosen, et al., 1947Corresponding Δfliquid = -53.15 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid64.061cal/mol*KN/AHuffman, Todd, et al., 1949DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
50.251298.15Huffman, Todd, et al., 1949T = 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
Tboil392.6 ± 0.6KAVGN/AAverage of 19 out of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus237. ± 4.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple236.22KN/AHuffman, Todd, et al., 1949, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc5877.7 ± 0.5KN/ADaubert, 1996 
Tc590.KN/AMajer and Svoboda, 1985 
Tc587.7KN/APowell, Swinton, et al., 1970Uncertainty 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
Δvap9.070kcal/molN/AMajer and Svoboda, 1985 
Δvap8.99kcal/molN/AKusano and Saito, 1975AC
Δvap9.06kcal/molN/AReid, 1972AC
Δvap9.54 ± 0.02kcal/molCOsborne and Ginnings, 1947AC
Δvap9.051kcal/molCOsborne and Ginnings, 1947, 2ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.782392.5N/AMajer and Svoboda, 1985 
8.77328.A,MMStephenson and Malanowski, 1987Based on data from 313. to 395. K. See also Willingham, Taylor, et al., 1945.; AC
8.51 ± 0.02341.CMcCullough, Person, et al., 1951AC
8.27 ± 0.02357.CMcCullough, Person, et al., 1951AC
8.01 ± 0.02377.CMcCullough, Person, et al., 1951AC

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 377.12.640.2755590.Majer and Svoboda, 1985 

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.94720236.22Huffman, Todd, et al., 1949DH
2.949236.2Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.48236.22Huffman, Todd, et al., 1949DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0011 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0011 LN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.56EQSieck and Mautner(Meot-Ner), 1982LBLHLM
9.92 ± 0.05EIHerzschuh and Sicker, 1981LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H11+11.27 ± 0.05C2H5EIHerzschuh and Sicker, 1981LLK
C7H13+10.92 ± 0.05CH3EIHerzschuh and Sicker, 1981LLK

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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]

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]

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]

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]

Sieck and Mautner(Meot-Ner), 1982
Sieck, L.W.; Mautner(Meot-Ner), M., Ionization energies and entropies of cycloalkanes. Kinetics of free energy controlled charge-transfer reactions, J. Phys. Chem., 1982, 86, 3646. [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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