p-Fluoroaniline
- Formula: C6H6FN
- Molecular weight: 111.1169
- IUPAC Standard InChI: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
- 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
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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:
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 | -782.2 | kcal/mol | Ccb | Swarts, 1919 | Not corrected for CODATA value of ΔfH; ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 46.65 | 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 |
Reaction thermochemistry 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 by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C6H5FN- + =
By formula: C6H5FN- + H+ = C6H6FN
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 364.3 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 357.0 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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