p-Fluoroaniline
- Formula: C6H6FN
- Molecular weight: 111.1169
- IUPAC Standard InChIKey: KRZCOLNOCZKSDF-UHFFFAOYSA-N
- CAS Registry Number: 371-40-4
- 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: Benzenamine, 4-fluoro-; Aniline, p-fluoro-; p-Fluorophenylamine; 4-Fluoroaniline; 4-Fluoronaniline; 4-Fluorobenzenamine; Aniline, 4-fluoro-; 1-Amino-4-fluorobenzene; 4-Fluoranilin; UN 2944; NSC 579
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas Chromatography, 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 |
---|---|---|---|---|---|
ΔcH°liquid | -3273. | kJ/mol | Ccb | Swarts, 1919 | Not corrected for CODATA value of ΔfH; ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
195.2 | 298.15 | Lichanot, 1991 | T = 175 to 333 K. Cp(liq) = 192.943 + 0.092T(°C) J/mol*K (-49 to 60°C). Cp value calculated from equation.; DH |
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
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 | 461. | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 271.25 | K | N/A | Lichanot, 1991 | DH |
Tfus | 314.65 | K | N/A | Popp, 1964 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 54.8 ± 0.8 | kJ/mol | C | Ribeiro da Silva, Ferreira, et al., 2007 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
460.2 | 1.02 | Aldrich Chemical Company Inc., 1990 | BS |
358.2 | 0.025 | Weast and Grasselli, 1989 | BS |
Gas Chromatography
Go To: Top, Condensed 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 180. | 1001. | Oszczapowicz, Osek, et al., 1984 | N2, Chromosorb W AW; Column length: 3. m |
Packed | Apiezon L | 180. | 996. | Vernon and Edwards, 1975 | N2, Celite; Column length: 1. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 967.6 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Swarts, 1919
Swarts, F.,
Etudes thermochimiques sur les combinaisons organiques fluorees,
J. Chim. Phys., 1919, 17, 3-70. [all data]
Lichanot, 1991
Lichanot, A.,
Heat capacities of fluroaniline, fluorophenol and difluorobenzene in condensed phase,
Thermochim. Acta, 1991, 177, 265-272. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Popp, 1964
Popp, F.D.,
Some Derivatives of 3-Bromobenzaldehyde,
J. Chem. Eng. Data, 1964, 9, 381. [all data]
Ribeiro da Silva, Ferreira, et al., 2007
Ribeiro da Silva, Manuel A.V.; Ferreira, Ana I.M.C.L.; Gomes, José R.B.,
Combined Experimental and Computational Study of the Thermochemistry of the Fluoroaniline Isomers,
J. Phys. Chem. B, 2007, 111, 8, 2052-2061, https://doi.org/10.1021/jp0672407
. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 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]
Oszczapowicz, Osek, et al., 1984
Oszczapowicz, J.; Osek, J.; Dolecka, E.,
Retention indices of dimethylformamidines, dimethylacetamidines and tetramethylguanidines on a non-polar column,
J. Chromatogr., 1984, 315, 95-100, https://doi.org/10.1016/S0021-9673(01)90727-7
. [all data]
Vernon and Edwards, 1975
Vernon, F.; Edwards, G.T.,
Gas-liquid chromatography on fluorinated stationary phases. II. Fluorinated compounds containing a functional group,
J. Chromatogr., 1975, 114, 1, 87-93, https://doi.org/10.1016/S0021-9673(00)85245-0
. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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