- Formula: C6H6FN
- Molecular weight: 111.1169
- IUPAC Standard InChI:
- Download the identifier in a file.
- 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
- 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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.
Condensed phase thermochemistry data
Go To: Top, Reaction 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
|cH°liquid||-782.2||kcal/mol||Ccb||Swarts, 1919||Not corrected for CODATA value of «DELTA»fH; 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
Go To: Top, Condensed phase thermochemistry data, References, Notes
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.
C6H5FN- + =
By formula: C6H5FN- + H+ = C6H6FN
|rH°||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|
|rG°||357.0 ± 2.0||kcal/mol||IMRE||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale|
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Swarts, F., Etudes thermochimiques sur les combinaisons organiques fluorees, J. Chim. Phys., 1919, 17, 3-70. [all data]
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]
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid cH°liquid Enthalpy of combustion of liquid at standard conditions rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- 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.