Butane, decafluoro-
- Formula: C4F10
- Molecular weight: 238.0268
- IUPAC Standard InChIKey: KAVGMUDTWQVPDF-UHFFFAOYSA-N
- CAS Registry Number: 355-25-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Decafluorobutane; Perfluorobutane; Perfluoro-n-butane
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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 |
---|---|---|---|---|---|
ΔfH°gas | -2156. | kJ/mol | Semi | Stewart, 2004 |
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 |
---|---|---|---|---|---|
Tboil | 271. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 277.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 271.2 | K | N/A | Gilmour, Zwicker, et al., 1967 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 271.15 | K | N/A | Brown and Mears, 1958 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 144.0 | K | N/A | Campos-Vallette and Rey-Lafon, 1983 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 386.35 | K | N/A | Brown and Mears, 1958 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 23.2338 | bar | N/A | Brown and Mears, 1958 | Uncertainty assigned by TRC = 0.1013 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.52 | mol/l | N/A | Brown and Mears, 1958 | Uncertainty assigned by TRC = 0.042 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
24.2 | 287. | A | Stephenson and Malanowski, 1987 | Based on data from 272. to 327. K.; AC |
24.2 | 258. | A | Stephenson and Malanowski, 1987 | Based on data from 233. to 273. K.; AC |
23.1 | 338. | A | Stephenson and Malanowski, 1987 | Based on data from 323. to 386. K.; AC |
21. | 293. | N/A | Brown and Mears, 1958, 2 | Based on data from 233. to 383. K.; AC |
17.1 | 333. | N/A | Brown and Mears, 1958, 2 | Based on data from 233. to 383. K.; AC |
25.8 | 247. | N/A | Simons and Mausteller, 1952 | Based on data from 233. to 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 to 269.24 | 4.1425 | 982.586 | -33.624 | Brown and Mears, 1958, 2 | Coefficents calculated by NIST from author's data. |
233.22 to 259.94 | 3.79136 | 820.058 | -54.311 | Simons and Mausteller, 1952, 2 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change 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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF3+ | 13.22 | ? | PI | Noutary, 1968 | |
C2F3+ | 15.65 | ? | PI | Noutary, 1968 | |
C2F5+ | 13.05 | ? | PI | Noutary, 1968 | |
C3F5+ | 15.65 | ? | PI | Noutary, 1968 | |
C3F7+ | 13.30 | CF3 | PI | Noutary, 1968 | |
C4F9+ | 15.42 | F | PI | Noutary, 1968 |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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.
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]
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
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- Symbols used in this document:
AE Appearance energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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