1-Fluoro-3-(trifluoro-methyl)benzene
- Formula: C7H4F4
- Molecular weight: 164.1003
- IUPAC Standard InChIKey: GBOWGKOVMBDPJF-UHFFFAOYSA-N
- CAS Registry Number: 401-80-9
- 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: m-Fluorobenzotrifluoride; 3-Fluorobenzotrifluoride; Benzene, 1-fluoro-3-(trifluoromethyl)-; m,α,α,α-Tetrafluorotoluene; Toluene, α,α,α-m-tetrafluoro-; Toluene, m,α,α,α-tetrafluoro-; Trifluoromethyl-3-fluorobenzene; 1-(Trifluoromethyl)-3-fluorobenzene; m,alpha,alpha,alpha-Tetrafluorotoluene; 3-Fluoro(trifluoromethyl)benzene; α,α,α,3-Tetrafluorotoluene; Benzene, 1-fluoromethyl-3-trifluoromethyl
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 373. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 374.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.07 ± 0.05 | kcal/mol | V | Good, Douslin, et al., 1959 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.80 | 328. | A | Stephenson and Malanowski, 1987 | Based on data from 313. to 410. K. See also Dykyj and Vanko, 1970.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
313.60 to 410. | 4.12706 | 1305.633 | -57.392 | Good, Douslin, et al., 1959 | Coefficents calculated by NIST from author's data. |
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.
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]
Good, Douslin, et al., 1959
Good, W.D.; Douslin, D.R.; Scott, D.W.; George, A.; Lacina, J.L.; Dawson, J.P.; Waddington, G.,
Thermochemistry and vapor pressure of aliphatic fluorocarbons. A comparison of the C-F and C-H thermochemical bond energies,
J. Phys. Chem., 1959, 63, 1133-1138. [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]
Dykyj and Vanko, 1970
Dykyj, J.; Vanko, A.,
Petrochemica, 1970, 10, 1, 3. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point 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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