Benzene, fluoro-
- Formula: C6H5F
- Molecular weight: 96.1023
- IUPAC Standard InChIKey: PYLWMHQQBFSUBP-UHFFFAOYSA-N
- CAS Registry Number: 462-06-6
- 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: Fluorobenzene; Monofluorobenzene; Phenyl fluoride; UN 2387; Fluorobenzenes
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Condensed phase thermochemistry data
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 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 |
---|---|---|---|---|---|
ΔfH°liquid | -150.8 ± 1.4 | kJ/mol | Ccr | Good, Scott, et al., 1956 | Corrected for CODATA value of ΔfH; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3103.9 ± 1.2 | kJ/mol | Ccr | Good, Scott, et al., 1956 | Corrected for CODATA value of ΔfH; ALS |
ΔcH°liquid | -3126. | kJ/mol | Ccb | Swarts, 1919 | Not corrected for CODATA value of ΔfH; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 205.94 | J/mol*K | N/A | Scott, McCullough, et al., 1956 | DH |
S°liquid | 195.0 | J/mol*K | N/A | Stull, 1937 | Extrapolation below 91 K, 42.55 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
146.29 | 298.15 | Roux, Grolier, et al., 1984 | DH |
146.36 | 298.15 | Scott, McCullough, et al., 1956 | T = 14 to 350 K.; DH |
146.57 | 298.1 | Stull, 1937 | T = 90 to 320 K.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 358.0 ± 0.3 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 230.96 | K | N/A | Goates, Ott, et al., 1976 | Uncertainty assigned by TRC = 0.06 K; TRC |
Tfus | 231.25 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 231.3 | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 231.25 | K | N/A | Timmermans, 1934 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 230.92 | K | N/A | Scott, McCullough, et al., 1956, 2 | Uncertainty assigned by TRC = 0.08 K; by extrapolation of 1/f to 0.0; TRC |
Ttriple | 230.94 | K | N/A | Scott, McCullough, et al., 1956, 2 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 231.1 | K | N/A | Stull, 1937, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 560.1 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 560.1 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.2 K; Visual, PRT, IPTS-48; TRC |
Tc | 560.070 | K | N/A | Douslin, Moore, et al., 1958 | Uncertainty assigned by TRC = 0.07 K; TRC |
Tc | 559.7 | K | N/A | Young, 1889 | Uncertainty assigned by TRC = 0.6 K; by visual observation of meniscus; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 45.505 | bar | N/A | Douslin, Moore, et al., 1958 | Uncertainty assigned by TRC = 0.0506 bar; TRC |
Pc | 45.2123 | bar | N/A | Young, 1889 | Uncertainty assigned by TRC = 0.3999 bar; vapor pressure at critical temperature; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.269 | l/mol | N/A | Douslin, Moore, et al., 1958 | Uncertainty assigned by TRC = 0.008 l/mol; TRC |
Vc | 0.462 | l/mol | N/A | Young, 1889 | Uncertainty assigned by TRC = 0.004 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 34.68 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 34.5 | kJ/mol | N/A | Boublik, Fried, et al., 1984 | Based on data from 255. to 360. K. See also Basarová and Svoboda, 1991.; AC |
ΔvapH° | 34.53 | kJ/mol | V | Findlay, 1969 | ALS |
ΔvapH° | 34.6 | kJ/mol | V | Scott, McCullough, et al., 1956, 3 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
31.19 | 357.9 | N/A | Majer and Svoboda, 1985 | |
31.9 | 373. | A | Stephenson and Malanowski, 1987 | Based on data from 358. to 530. K.; AC |
31.8 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 419. K.; AC |
31.0 | 429. | A | Stephenson and Malanowski, 1987 | Based on data from 414. to 501. K.; AC |
30.9 | 512. | A | Stephenson and Malanowski, 1987 | Based on data from 497. to 561. K.; AC |
33.6 | 327. | EB | Stephenson and Malanowski, 1987 | Based on data from 312. to 394. K. See also Scott, McCullough, et al., 1956.; AC |
33.5 ± 0.1 | 318. | C | Scott, McCullough, et al., 1956 | AC |
32.4 ± 0.1 | 337. | C | Scott, McCullough, et al., 1956 | AC |
31.2 ± 0.1 | 358. | C | Scott, McCullough, et al., 1956 | AC |
29.7 ± 0.1 | 382. | C | Scott, McCullough, et al., 1956 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
318. to 382. | 49.8 | 0.2823 | 560.1 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
255.30 to 357.00 | 4.36225 | 1409.848 | -34.792 | Young, 1889, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.305 | 230.94 | Scott, McCullough, et al., 1956 | DH |
11.31 | 230.9 | Domalski and Hearing, 1996 | AC |
10.397 | 231.10 | Stull, 1937 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
48.95 | 230.94 | Scott, McCullough, et al., 1956 | DH |
44.99 | 231.10 | Stull, 1937 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, Scott, et al., 1956
Good, W.D.; Scott, D.W.; Waddington, G.,
Combustion calorimetry of organic fluorine compounds by a rotating-bomb method,
J. Phys. Chem., 1956, 60, 1080-1089. [all data]
Swarts, 1919
Swarts, F.,
Etudes thermochimiques sur les combinaisons organiques fluorees,
J. Chim. Phys., 1919, 17, 3-70. [all data]
Scott, McCullough, et al., 1956
Scott, D.W.; McCullough, J.P.; Good, W.D.; Messerly, J.F.; Pennington, R.E.; Kincheloe, T.C.; Hossenlopp, I.A.; Douslin, D.R.; Waddington, G.,
Fluorobenzene: Thermodynamic properties in the solid, liquid and vapor states, a revised vibrational assignment,
J. Am. Chem. Soc., 1956, 78, 5457-5463. [all data]
Stull, 1937
Stull, D.R.,
A semi-micro calorimeter for measuring heat capacities at low temperatures,
J. Am. Chem. Soc., 1937, 59, 2726-2733. [all data]
Roux, Grolier, et al., 1984
Roux, A.H.; Grolier, J.-P.E.; Inglese, A.; Wilhelm, E.,
Excess molar enthalpies, excess molar heat capacities and excess molar volumes of (fluorobenzene + an n-alkane),
Ber. Bunsenges. Phys. Chem., 1984, 88, 986-992. [all data]
Goates, Ott, et al., 1976
Goates, J.R.; Ott, J.B.; Moellmer, J.F.,
Solid + Liquid Phase Equilibria and Solid-compound Formation in Halobenzenes + Aromatic Hydrocarbons,
J. Chem. Thermodyn., 1976, 8, 217. [all data]
Timmermans, 1952
Timmermans, J.,
Freezing points of organic compounds. VVI New determinations.,
Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]
Timmermans, 1935
Timmermans, J.,
Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds.,
Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]
Timmermans, 1934
Timmermans, J.,
Theory of Concentrated Solutions XII.,
Bull. Soc. Chim. Belg., 1934, 43, 626. [all data]
Scott, McCullough, et al., 1956, 2
Scott, D.W.; McCullough, J.P.; Good, W.D.; Messerly, J.F.; Pennington, R.E.; Kincheloe, T.C.; Hossenlopp, I.A.; Douslin, D.R.; Waddington, G.,
Fluorobenzene: Thermodynamic Properties in the Solid, Liquid and Vapor States; A Revised Vibrational Assignment,
J. Am. Chem. Soc., 1956, 78, 5457-63. [all data]
Stull, 1937, 2
Stull, D.R.,
A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp.,
J. Am. Chem. Soc., 1937, 59, 2726. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Ambrose, Cox, et al., 1960
Ambrose, D.; Cox, J.D.; Townsend, R.,
The critical temperatures of forty organic compounds,
Trans. Faraday Soc., 1960, 56, 1452. [all data]
Douslin, Moore, et al., 1958
Douslin, D.R.; Moore, R.T.; Dawson, J.P.; Waddington, G.,
Pressure-Volume-Temperature Properties of Fluorobenzene,
J. Am. Chem. Soc., 1958, 80, 2031. [all data]
Young, 1889
Young, S.,
On the Vapor Pressures and SPecific Volumes of Similar Compounds of Elements in Relation to the Position of Those Elements in the Periodic Table,
J. Chem. Soc., Trans., 1889, 55, 486. [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]
Findlay, 1969
Findlay, T.J.V.,
Vapor pressures of fluorobenzenes from 5° to 50°C,
J. Chem. Eng. Data, 1969, 14, 229. [all data]
Scott, McCullough, et al., 1956, 3
Scott, D.W.; McCullough, J.P.; Good, W.D.; Messerly, J.F.; Pennington, R.E.; Kincheloe, T.C.; Hossenlopp, I.A.; Douslin, D.R.; Waddington, G.,
Fluorobenzene: Thermodynamic properties in the solid, liquid and vapor states; a revised vibrational assignment,
J. Am. Chem. Soc., 1956, 78, 5457-54. [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]
Young, 1889, 2
Young, S.,
On the Vapour-Pressures and Specific Volumes of Similar Compounds of Elements in Relation to the Position of those Elements in the Periodic Table,
J. Chem. Soc., 1889, 55, 486-521, https://doi.org/10.1039/ct8895500486
. [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
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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