Benzene, 1,2,3,4-tetrafluoro-
- Formula: C6H2F4
- Molecular weight: 150.0737
- IUPAC Standard InChIKey: SOZFIIXUNAKEJP-UHFFFAOYSA-N
- CAS Registry Number: 551-62-2
- 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: 1,2,3,4-Tetrafluorobenzene; 2,3,4,5-Tetrafluorobenzene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 368.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 368. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 366.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 231.25 | K | N/A | Andon and Martin, 1973 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 233.26 | K | N/A | Andon and Martin, 1973 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 550.83 | K | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 550.83 | K | N/A | Hales and Townsend, 1974 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 37.41 | atm | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.04 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.196 | mol/l | N/A | Hales and Townsend, 1974 | Uncertainty assigned by TRC = 0.0031 mol/l; Liquid density determined by magnetically balanced float up to 490 K, see J.L.Hales, 1970. Critical D by equation due to Riedel.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.96 | kcal/mol | N/A | Boublik, Fried, et al., 1984 | Based on data from 300. to 390. K. See also Basarová and Svoboda, 1991.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.80 | 315. | A | Stephenson and Malanowski, 1987 | Based on data from 300. to 392. K. See also Ambrose, Ellender, et al., 1975 and Boublik, Fried, et al., 1984.; AC |
8.84 | 294. | MM | Stephenson and Malanowski, 1987 | Based on data from 279. to 323. K. See also Findlay, 1969.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
279.20 to 323.02 | 4.31164 | 1394.889 | -44.425 | Findlay, 1969 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.612 | 233.3 | Andon and Martin, 1973 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.171 | 221. | crystaline, II | crystaline, I | Andon and Martin, 1973, 2 | DH |
1.477 | 231.25 | crystaline, II | liquid | Andon and Martin, 1973, 2 | DH |
2.6123 | 233.26 | crystaline, I | liquid | Andon and Martin, 1973, 2 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
5.31 | 221. | crystaline, II | crystaline, I | Andon and Martin, 1973, 2 | DH |
6.38 | 231.25 | crystaline, II | liquid | Andon and Martin, 1973, 2 | DH |
11.2 | 233.26 | crystaline, I | liquid | Andon and Martin, 1973, 2 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Andon and Martin, 1973
Andon, R.J.L.; Martin, J.F.,
Thermodynamic properties of fluorine compounds. Part 11.---Low-temperature heat capacities of the three tetrafluorobenzenes,
J. Chem. Soc., Faraday Trans. 1, 1973, 69, 0, 761, https://doi.org/10.1039/f19736900761
. [all data]
Ambrose, Broderick, et al., 1974
Ambrose, D.; Broderick, B.E.; Townsend, R.,
The Critical Temperatures and Pressures of Thirty Organic Compounds,
J. Appl. Chem. Biotechnol., 1974, 24, 359. [all data]
Hales and Townsend, 1974
Hales, J.L.; Townsend, R.,
Liquid Densities from 293 to 490 K of Eight Fluorinated Aromatic Comp.,
J. Chem. Thermodyn., 1974, 6, 111-6. [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]
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]
Ambrose, Ellender, et al., 1975
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of fluorine compounds. Part 15.---Vapour pressures of the three tetrafluorobenzenes and 1,3,5-trichloro-2,4,6-trifluorobenzene,
J. Chem. Soc., Faraday Trans. 1, 1975, 71, 0, 35, https://doi.org/10.1039/f19757100035
. [all data]
Findlay, 1969
Findlay, T.J.V.,
Vapor pressures of fluorobenzenes from 5 to 50.deg.C,
J. Chem. Eng. Data, 1969, 14, 2, 229-231, https://doi.org/10.1021/je60041a012
. [all data]
Andon and Martin, 1973, 2
Andon, R.J.L.; Martin, J.F.,
Thermodynamic properties of fluorine compounds. Part 11. Low-temperature heat capacities of the three tetrafluorobenzenes,
J. Chem. Soc. Faraday Trans., 1973, I 69, 761-770. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.