Heptylcyclohexane

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-65.73 ± 0.46kcal/molCcbProsen, Johnson, et al., 1946 

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
Δfliquid-84.36 ± 0.56kcal/molCcbMoore, Renquist, et al., 1940Reanalyzed by Cox and Pilcher, 1970, Original value = -84.96 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-2045.07 ± 0.42kcal/molCcbProsen, Johnson, et al., 1946Corresponding Δfliquid = -65.69 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-2026.40 ± 0.55kcal/molCcbMoore, Renquist, et al., 1940Reanalyzed by Cox and Pilcher, 1970, Original value = -2025.56 kcal/mol; Corresponding Δfliquid = -84.36 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid106.8cal/mol*KN/AParks, Moore, et al., 1949Extrapolation below 80 K, 90.04 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
86.81298.15Parks, Moore, et al., 1949T = 80 to 300 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil510.KN/ASchlenk, 1951Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Tfus232.KN/ASchmidt, 1942Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple232.8KN/AParks, Moore, et al., 1949, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δvap15.23 ± 0.13kcal/molCFuchs and Peacock, 1978ALS
Δvap15.5kcal/molN/AReid, 1972AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
5.311232.8Domalski and Hearing, 1996AC
5.3119232.8Parks, Moore, et al., 1949DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
22.8232.8Parks, Moore, 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:


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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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-IW-1908
NIST MS number 227569

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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.

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons, J. Res. NBS, 1946, 37, 51-56. [all data]

Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S., Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins, J. Am. Chem. Soc., 1940, 62, 1505-1507. [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]

Parks, Moore, et al., 1949
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A., Thermal data on organic compounds. XXV. Some heat capacity, entropy and free energy data for nine hydrocarbons of high molecular weight, J. Am. Chem. Soc., 1949, 71, 3386-3389. [all data]

Schlenk, 1951
Schlenk, W., Justus Liebigs Ann. Chem., 1951, 573, 142-62. [all data]

Schmidt, 1942
Schmidt, A.W., Physical properties of aliphatic compounds, Ber. Dtsch. Chem. Ges. B, 1942, 75, 1399. [all data]

Parks, Moore, et al., 1949, 2
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A., Thermal Data on Organic Compounds. XXV. Some Heat Capacity, Entropy and Free Energy Data for Nine Hydrocarbons of High Molecular Weight, J. Am. Chem. Soc., 1949, 71, 10, 3386, https://doi.org/10.1021/ja01178a034 . [all data]

Fuchs and Peacock, 1978
Fuchs, R.; Peacock, L.A., Heats of vaporization of monoalkylcyclohexanes by the gas chromatography-calorimetry method, Can. J. Chem., 1978, 56, 2493-24. [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]

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

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