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Butane, decafluoro-

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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.

Quantity Value Units Method Reference Comment
Deltafgas-2156.kJ/molSemiStewart, 2004 

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: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
127.2293.Campos-Vallette and Diaz, 1983Calculated value from Sargent, J.W. et al, Amer. Soc. Test Mater. Spect. Tech. Bull. 346:51, 1964.

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

Quantity Value Units Method Reference Comment
Tboil271.KN/APCR Inc., 1990BS
Tboil277.2KN/AWeast and Grasselli, 1989BS
Tboil271.2KN/AGilmour, Zwicker, et al., 1967Uncertainty assigned by TRC = 0.5 K; TRC
Tboil271.15KN/ABrown and Mears, 1958Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tfus144.0KN/ACampos-Vallette and Rey-Lafon, 1983Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tc386.35KN/ABrown and Mears, 1958Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Pc23.2338barN/ABrown and Mears, 1958Uncertainty assigned by TRC = 0.1013 bar; TRC
Quantity Value Units Method Reference Comment
rhoc2.52mol/lN/ABrown and Mears, 1958Uncertainty assigned by TRC = 0.042 mol/l; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
24.2287.AStephenson and Malanowski, 1987Based on data from 272. - 327. K.; AC
24.2258.AStephenson and Malanowski, 1987Based on data from 233. - 273. K.; AC
23.1338.AStephenson and Malanowski, 1987Based on data from 323. - 386. K.; AC
21.293.N/ABrown and Mears, 1958, 2Based on data from 233. - 383. K.; AC
17.1333.N/ABrown and Mears, 1958, 2Based on data from 233. - 383. K.; AC
25.8247.N/ASimons and Mausteller, 1952Based on data from 233. - 260. K. See also Boublik, Fried, et al., 1984.; 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
233.27 - 269.244.1425982.586-33.624Brown and Mears, 1958, 2Coefficents calculated by NIST from author's data.
233.22 - 259.943.79136820.058-54.311Simons and Mausteller, 1952, 2Coefficents calculated by NIST from author's data.

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:


Gas phase ion energetics 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF3+13.22?PINoutary, 1968 
C2F3+15.65?PINoutary, 1968 
C2F5+13.05?PINoutary, 1968 
C3F5+15.65?PINoutary, 1968 
C3F7+13.30CF3PINoutary, 1968 
C4F9+15.42FPINoutary, 1968 

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.
NIST MS number 11524

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Site Links, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Campos-Vallette and Diaz, 1983
Campos-Vallette, M.; Diaz, F.G., Some physical and thermodynamic properties of n-CnF2n+2 compounds with n = 4-8, Semina (Londrian Braz.), 1983, 4(14), 405-409. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Gilmour, Zwicker, et al., 1967
Gilmour, J.B.; Zwicker, J.O.; Katz, J.; Scott, R.L., Fluorocarbon Solutions at Low Temperatures V. The Liquid Mixtures C2H6 + C2F6m, C3H8 + C2F6, CH4 + C3F8, C2H6 + C3F8, C3H8 + C3F8, n-C4H10 + C3F8, i-C4H10 + C3F8, C3H8 + n-C4F10, n-C6H14 + n-C4F10, n, J. Phys. Chem., 1967, 71, 3259. [all data]

Brown and Mears, 1958
Brown, J.A.; Mears, W.H., Physical properties of n-Perfluorobutane., J. Phys. Chem., 1958, 62, 960. [all data]

Campos-Vallette and Rey-Lafon, 1983
Campos-Vallette, M.; Rey-Lafon, M., J. Mol. Struct., 1983, 101, 23. [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]

Brown and Mears, 1958, 2
Brown, James A.; Mears, Whitney H., Physical Properties of n-Perfluorobutane, J. Phys. Chem., 1958, 62, 8, 960-962, https://doi.org/10.1021/j150566a015 . [all data]

Simons and Mausteller, 1952
Simons, J.H.; Mausteller, J.W., The Properties of n-Butforane and Its Mixtures with n-Butane, J. Chem. Phys., 1952, 20, 10, 1516, https://doi.org/10.1063/1.1700205 . [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]

Simons and Mausteller, 1952, 2
Simons, J.H.; Mausteller, J.W., The Properties of n-Butforane and its Mixtures with n-Butane, J. Chem. Phys., 1952, 20, 10, 1516-1519, https://doi.org/10.1063/1.1700205 . [all data]

Noutary, 1968
Noutary, C.J., Mass spectrometric study of some fluorocarbons and trifluoromethyl halides, J.Res. NBS, 1968, 72A, 479. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Site Links, NIST Free Links, References