2,4-Difluoroaniline

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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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil442.6KN/APCR Inc., 1990BS
Quantity Value Units Method Reference Comment
Δvap52.1 ± 0.5kJ/molCRibeiro da Silva, Ferreira, et al., 2007AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
443.21.00Weast and Grasselli, 1989BS

Gas phase ion energetics 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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C6H5F2N+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.54PEFurin, Sultanov, et al., 1987Vertical value; LBLHLM

De-protonation reactions

C6H4F2N- + Hydrogen cation = 2,4-Difluoroaniline

By formula: C6H4F2N- + H+ = C6H5F2N

Quantity Value Units Method Reference Comment
Δr1510. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr1480. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

References

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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]

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]

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]

Furin, Sultanov, et al., 1987
Furin, G.G.; Sultanov, A.S.; Furlei, I.I., Photoelectronic spectra of fluorine-containing aromatic amines, Dokl. Phys. Chem., 1987, 530. [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

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