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Cyclohexane, 1,1-dimethyl-

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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
gas364.93J/mol*KN/AHuffman H.M., 1949 

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
38.1550.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].
58.09100.
81.65150.
105.5200.
144.3273.15
158.5298.15
159.6300.
216.0400.
266.0500.
307.8600.
342.7700.
372.0800.
397.0900.
418.41000.
436.61100.
452.31200.
465.71300.
477.31400.
487.31500.
506.81750.
520.72000.
530.92250.
538.52500.
544.22750.
548.73000.

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
Deltacliquid-5216.0 ± 1.9kJ/molCcbJohnson, Prosen, et al., 1947Corresponding «DELTA»fliquid = -218.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5241.3kJ/molCcbZubova, 1901Corresponding «DELTA»fliquid = -193. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid267.23J/mol*KN/AHuffman, Todd, et al., 1949DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
209.24298.15Huffman, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil393. ± 1.KAVGN/AAverage of 28 out of 29 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus239.13KN/AShortridge, Craig, et al., 1948Uncertainty assigned by TRC = 0.2 K; TRC
Tfus239.61KN/AStreiff, Murphy, et al., 1947Uncertainty assigned by TRC = 0.07 K; TRC
Tfus237.95KN/ABoord, Greenlee, et al., 1945Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple239.81KN/AHuffman, Todd, et al., 1949, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple239.810KN/AHuffman, 1948Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Deltavap37.97kJ/molN/AMajer and Svoboda, 1985 
Deltavap38.8 ± 0.1kJ/molN/AChickos, Hesse, et al., 1995AC
Deltavap37.9kJ/molN/AKusano and Saito, 1975AC
Deltavap37.8kJ/molN/AReid, 1972AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
32.51392.7N/AMajer and Svoboda, 1985 
39.6 ± 0.1287.GSChickos, Hesse, et al., 1995Based on data from 271. - 303. K.; AC
36.6328.AStephenson and Malanowski, 1987Based on data from 313. - 395. K. See also Forziati, Norris, et al., 1949.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference
313.7 - 393.673.927151323.861-55.097Forziati, Norris, et al., 1949, 2

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
2.01239.8Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
39.05153.2Domalski and Hearing, 1996CAL
8.37239.8

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
5.9844153.15crystaline, IIcrystaline, IHuffman, Todd, et al., 1949DH
2.025239.81crystaline, IliquidHuffman, Todd, et al., 1949DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
39.00153.15crystaline, IIcrystaline, IHuffman, Todd, et al., 1949DH
8.44239.81crystaline, IliquidHuffman, 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:


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

Hydrogen + Cyclohexene, 4,4-dimethyl- = Cyclohexane, 1,1-dimethyl-

By formula: H2 + C8H14 = C8H16

Quantity Value Units Method Reference Comment
Deltar-111.4 ± 0.50kJ/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid

Hydrogen + 3,3-Dimethylcyclohexene = Cyclohexane, 1,1-dimethyl-

By formula: H2 + C8H14 = C8H16

Quantity Value Units Method Reference Comment
Deltar-115.7 ± 0.67kJ/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-5331
NIST MS number 234851

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]

Zubova, 1901
Zubova, P., Data about heat of combustion of compound cycle structure, Zh. Fiz. Khim., 1901, 33, 708-722. [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]

Shortridge, Craig, et al., 1948
Shortridge, R.W.; Craig, R.A.; Greenlee, K.W.; Derfer, J.M.; Boord, C.E., The Synthesis of Some Cyclopropane and Spirane Hydrocarbons, J. Am. Chem. Soc., 1948, 70, 946. [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]

Boord, Greenlee, et al., 1945
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L., , Am. Pet. Inst. Res. Proj. 45, Seventh Annu. Rep., Ohio State Univ., June 30, 1945. [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]

Chickos, Hesse, et al., 1995
Chickos, James S.; Hesse, Donald G.; Hosseini, Sarah; Liebman, Joel F.; David Mendenhall, G.; Verevkin, Sergej P.; Rakus, Klaus; Beckhaus, Hans-Dieter; Rüchardt, Christoph, Enthalpies of vaporization of some highly branched hydrocarbons, The Journal of Chemical Thermodynamics, 1995, 27, 6, 693-705, https://doi.org/10.1006/jcht.1995.0071 . [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]

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]

Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D., Vapor pressures and boiling points of sixty API-NBS hydrocarbons, J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050 . [all data]

Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D., Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050 . [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]

Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J., Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins, J. Am. Chem. Soc., 1973, 95, 790-792. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References