Heptane, hexadecafluoro-
- Formula: C7F16
- Molecular weight: 388.0494
- IUPAC Standard InChIKey: LGUZHRODIJCVOC-UHFFFAOYSA-N
- CAS Registry Number: 335-57-9
- 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: Hexadecafluoroheptane; Perfluoro-n-heptane; Perfluoroheptane
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Phase change data
Go To: Top, Mass spectrum (electron ionization), References, Notes
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 |
---|---|---|---|---|---|
Tboil | 355. ± 2. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 180. | K | N/A | Starkweather, 1986 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 197.15 | K | N/A | Neff and Hickman, 1955 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 221.87 | K | N/A | Oliver and Grisard, 1951 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 475. | K | N/A | Steele, Chirico, et al., 1997 | Uncertainty assigned by TRC = 2. K; TRC |
Tc | 477.8 | K | N/A | Ermakov and Skripov, 1967 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tc | 474.7 | K | N/A | Milton and Oliver, 1952 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tc | 474.9 | K | N/A | Oliver, Blumkin, et al., 1951 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tc | 474.9 | K | N/A | Oliver and Grisard, 1951 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 16.50 | bar | N/A | Steele, Chirico, et al., 1997 | Uncertainty assigned by TRC = 1.50 bar; derived from fit of obs. vapor pressure; TRC |
Pc | 16.10 | bar | N/A | Milton and Oliver, 1952 | Uncertainty assigned by TRC = 0.1378 bar; TRC |
Pc | 16.20 | bar | N/A | Oliver, Blumkin, et al., 1951 | Uncertainty assigned by TRC = 0.2027 bar; TRC |
Pc | 16.20 | bar | N/A | Oliver and Grisard, 1951 | Uncertainty assigned by TRC = 0.2026 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.517 | mol/l | N/A | Steele, Chirico, et al., 1997 | Uncertainty assigned by TRC = 0.026 mol/l; TRC |
ρc | 1.50 | mol/l | N/A | Oliver, Blumkin, et al., 1951 | Uncertainty assigned by TRC = 0.01 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 36.3 ± 0.3 | kJ/mol | EB | Steele, Chirico, et al., 1997, 2 | Based on data from 304. to 390. K.; AC |
ΔvapH° | 35.9 | kJ/mol | N/A | Boublik, Fried, et al., 1984 | Based on data from 290. to 355. K. See also Basarová and Svoboda, 1991.; AC |
ΔvapH° | 36.34 | kJ/mol | V | Oliver and Grisard, 1951, 2 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
32.6 | 378. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 363. to 474. K.; AC |
37.7 | 286. | A | Stephenson and Malanowski, 1987 | Based on data from 271. to 379. K. See also Oliver and Grisard, 1951, 3 and Dykyj and Vanko, 1970.; AC |
34.9 | 324. | N/A | Glew and Reeves, 1956 | Based 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 379.18 | 4.08511 | 1193.572 | -63.06 | Oliver and Grisard, 1951, 3 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.95 | 221.9 | Domalski and Hearing, 1996 | See also Starkweather, 1986, 2.; AC |
Mass spectrum (electron ionization)
Go To: Top, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
References
Go To: Top, 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.
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, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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