Heptane, hexadecafluoro-

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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  CmAndreevskii and Antonova, 1982uncertain value: -3364. kJ/mol
Δfgas-3385.4 ± 3.6kJ/molCcrGood, Douslin, et al., 1959Reanalyzed by Kolesov and Kozina, 1986, Original value = -3301. kJ/mol; produce 3HF(aq:10)

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
Δfliquid-3421.7 ± 3.6kJ/molCcrGood, Douslin, et al., 1959Reanalyzed by Kolesov and Kozina, 1986, Original value = -3338. kJ/mol; produce 3HF(aq:10)
Quantity Value Units Method Reference Comment
Δcliquid-1757.4 ± 0.88kJ/molCcrGood, Douslin, et al., 1959produce 3HF(aq:10)

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

Quantity Value Units Method Reference Comment
Tboil355. ± 2.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus180.KN/AStarkweather, 1986Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Tfus197.15KN/ANeff and Hickman, 1955Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple221.87KN/AOliver and Grisard, 1951Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc475.KN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 2. K; TRC
Tc477.8KN/AErmakov and Skripov, 1967Uncertainty assigned by TRC = 0.5 K; TRC
Tc474.7KN/AMilton and Oliver, 1952Uncertainty assigned by TRC = 0.5 K; TRC
Tc474.9KN/AOliver, Blumkin, et al., 1951Uncertainty assigned by TRC = 0.5 K; TRC
Tc474.9KN/AOliver and Grisard, 1951Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Pc16.50barN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 1.50 bar; derived from fit of obs. vapor pressure; TRC
Pc16.10barN/AMilton and Oliver, 1952Uncertainty assigned by TRC = 0.1378 bar; TRC
Pc16.20barN/AOliver, Blumkin, et al., 1951Uncertainty assigned by TRC = 0.2027 bar; TRC
Pc16.20barN/AOliver and Grisard, 1951Uncertainty assigned by TRC = 0.2026 bar; TRC
Quantity Value Units Method Reference Comment
ρc1.517mol/lN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 0.026 mol/l; TRC
ρc1.50mol/lN/AOliver, Blumkin, et al., 1951Uncertainty assigned by TRC = 0.01 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap36.3 ± 0.3kJ/molEBSteele, Chirico, et al., 1997, 2Based on data from 304. to 390. K.; AC
Δvap35.9kJ/molN/ABoublik, Fried, et al., 1984Based on data from 290. to 355. K. See also Basarová and Svoboda, 1991.; AC
Δvap36.34kJ/molVOliver and Grisard, 1951, 2ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
32.6378.N/ADykyj, Svoboda, et al., 1999Based on data from 363. to 474. K.; AC
37.7286.AStephenson and Malanowski, 1987Based on data from 271. to 379. K. See also Oliver and Grisard, 1951, 3 and Dykyj and Vanko, 1970.; AC
34.9324.N/AGlew and Reeves, 1956Based on data from 293. to 355. K.; 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 Comment
271.26 to 379.184.085111193.572-63.06Oliver and Grisard, 1951, 3Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
6.95221.9Domalski and Hearing, 1996See also Starkweather, 1986, 2.; AC

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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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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 292171

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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.

Andreevskii and Antonova, 1982
Andreevskii, D.N.; Antonova, Z.A., Development of an increment scheme for calculating the thermodynamic properties of organic polyfluoro compounds, J. Appl. Chem. USSR, 1982, 55, 582-587. [all data]

Good, Douslin, et al., 1959
Good, W.D.; Douslin, D.R.; Scott, D.W.; George, A.; Lacina, J.L.; Dawson, J.P.; Waddington, G., Thermochemistry and vapor pressure of aliphatic fluorocarbons. A comparison of the C-F and C-H thermochemical bond energies, J. Phys. Chem., 1959, 63, 1133-1138. [all data]

Kolesov and Kozina, 1986
Kolesov, V.P.; Kozina, M.P., Thermochemistry of organic and organohalogen compounds, Russ. Chem. Rev., 1986, 55, 912. [all data]

Starkweather, 1986
Starkweather, H.W., Jr., Melting and crystalline transitions in normal perfluoroalkanes and poly(tetrafluoroethylene), Marcomolecules, 1986, 19, 4, 1131, https://doi.org/10.1021/ma00158a034 . [all data]

Neff and Hickman, 1955
Neff, J.A.; Hickman, J.B., Total Pressure of Certain Binary Liquid Mixtures, J. Phys. Chem., 1955, 59, 42-5. [all data]

Oliver and Grisard, 1951
Oliver, G.D.; Grisard, J.W., Some thermodynamic properties of hexadecafluoroheptane, J. Am. Chem. Soc., 1951, 73, 1688-90. [all data]

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturted Line, Measurements for Cyclohexanol, 2-Cyclohexen-1-one, 1,2-Dichloropropane, 1,4-Di-tert-butylbenzene, (±)-2-Ethylhexanoic Acid, 1-(m, J. Chem. Eng. Data, 1997, 42, 1021-36. [all data]

Ermakov and Skripov, 1967
Ermakov, G.V.; Skripov, V.P., Saturation Line, Critical Parameters, and Attainable Superheating of the Perfluoroparaffins, Russ. J. Phys. Chem. (Engl. Transl.), 1967, 41, 39-43. [all data]

Milton and Oliver, 1952
Milton, H.T.; Oliver, G.D., High Vapor Pressure of Hexadecafluoroheptane., J. Am. Chem. Soc., 1952, 74, 3951-2. [all data]

Oliver, Blumkin, et al., 1951
Oliver, G.D.; Blumkin, S.; Cunningham, C.W., Some physical properties of hexadecafluoroheptane, J. Am. Chem. Soc., 1951, 73, 5722-5. [all data]

Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturation Line, Measurements for Cyclohexanol, 2-Cyclohexen-1-one, 1,2-Dichloropropane, 1,4-Di- tert -butylbenzene, (±)-2-Ethylhexanoic Acid, 2-(Methylamino)ethanol, Perfluoro- n -heptane, and Sulfolane, J. Chem. Eng. Data, 1997, 42, 6, 1021-1036, https://doi.org/10.1021/je9701036 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav, Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data, Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I . [all data]

Oliver and Grisard, 1951, 2
Oliver, G.D.; Grisard, J.W., Some thermodynamic properties of hexadecafluoroheptane, J. Am. Chem. Soc., 1951, 73, 1688-16. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]

Oliver and Grisard, 1951, 3
Oliver, G.D.; Grisard, J.W., Some thermodynamic properties of hexadecafluoroheptane, J. Am. Chem. Soc., 1951, 73, 1688-1690. [all data]

Dykyj and Vanko, 1970
Dykyj, J.; Vanko, A., Petrochemica, 1970, 10, 1, 3. [all data]

Glew and Reeves, 1956
Glew, D.N.; Reeves, L.W., Purification of Perfluoro-n-heptane and Perfluoromethylcyclohexane., J. Phys. Chem., 1956, 60, 5, 615-615, https://doi.org/10.1021/j150539a026 . [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]

Starkweather, 1986, 2
Starkweather, Howard W., Melting and crystalline transitions in normal perfluoroalkanes and poly(tetrafluoroethylene), Macromolecules, 1986, 19, 4, 1131-1134, https://doi.org/10.1021/ma00158a034 . [all data]


Notes

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