Nitrogen trifluoride

• Formula: F₃N
• Molecular weight: 71.0019
• IUPAC Standard InChI: InChI=1S/F3N/c1-4(2)3 Copy

  
• IUPAC Standard InChIKey: GVGCUCJTUSOZKP-UHFFFAOYSA-N Copy
• CAS Registry Number: 7783-54-2
• 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: Trifluoroamine; Nitrogen fluoride (NF3); Nitrogen fluoride; Trifluoroammonia; Perfluoroammonia; NF3; UN 2451
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas 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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Gas basicity at 298K

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [all data]

Menzel and Mohry, 1933
Menzel, W.; Mohry, F., Vapor pressure of CF(4) and NF(3) and the triple point of CF(4)., Z. Anorg. Allg. Chem., 1933, 210, 257. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Hiraoka, Nasu, et al., 1995
Hiraoka, K.; Nasu, M.; Fujimaki, S., Gas-Phase Positive and Negative Ion - Molecule Reactions in NF3, J. Phys. Chem., 1995, 99, 15822. [all data]

Tarnovsky, Levin, et al., 1994
Tarnovsky, V.; Levin, A.; Becker, K.; Basner, R.; Schmidt, M., Electron impact ionization of the NF₃ molecule, Int. J. Mass Spectrom. Ion Processes, 1994, 133, 175. [all data]

Ruede, Troxler, et al., 1993
Ruede, R.; Troxler, H.; Beglinger, C.; Jungen, M., The dissociation energies of the positive ions NH₃⁺, NF₃⁺, PH₃⁺, PF₃⁺ and PCl₃⁺, Chem. Phys. Lett., 1993, 203, 477. [all data]

Berkowitz and Greene, 1984
Berkowitz, J.; Greene, J.P., The barrier to inversion in NF₃⁺, J. Chem. Phys., 1984, 81, 3383. [all data]

Dudin, Baluev, et al., 1979
Dudin, A.V.; Baluev, A.V.; Gorokhov, L.N., A mass spectrometric investigation of nitrogen trifluoride by the electron shock method, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1979, 28, 1996. [all data]

Basset and Lloyd, 1972
Basset, P.J.; Lloyd, D.R., Photoelectron spectra of halides. Part III. Trifluorides and oxide trifluorides of nitrogen and phosphorus, and phosphorus oxide trichloride, J. Chem. Soc. Dalton Trans., 1972, 248. [all data]

Muller and Fenderl, 1971
Muller, J.; Fenderl, K., Reaktionen des π-Cyclopentadienyl-Mangantricarbonyl-Kations mit einfachen Fluorverbindungen in der gasphase, Chem. Ber., 1971, 104, 2207. [all data]

Dibeler and Walker, 1969
Dibeler, V.H.; Walker, J.A., Mass spectrometric study of photoionization. XIV. Nitrogen trifluoride and trifluoramine oxide, Inorg. Chem., 1969, 8, 1728. [all data]

Baumgartel, Jochims, et al., 1989
Baumgartel, H.; Jochims, H.-W.; Ruhl, E.; Bock, H.; Dammel, R.; Minkwitz, J.; Nass, R., Photoelectron and photoionization mass spectra of the fluoramines NH₃-_nF_n¹, Inorg. Chem., 1989, 28, 943. [all data]

Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C., Photoelectron spectra of the halides of elements in groups III, IV, V and VI, Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]

Bassett and Lloyd, 1970
Bassett, P.J.; Lloyd, D.R., The photoelectron spectra of nitrogen trifluoride and nitrogen oxide trifluoride, and a reassignment of the spectra of tetrafluorides of group IV, Chem. Phys. Lett., 1970, 6, 166. [all data]

Reese and Dibeler, 1956
Reese, R.M.; Dibeler, V.H., Ionization and dissociation of nitrogen trifluoride by electron impact, J. Chem. Phys., 1956, 24, 1175. [all data]

Berkowitz, Greene, et al., 1984
Berkowitz, J.; Greene, J.P.; Foropoulos, J., Jr.; Neskovic, O.M., Bonding and ionization energies of N-F and P-F compounds, J. Chem. Phys., 1984, 81, 6166. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tboil	Boiling point
  Tfus	Fusion (melting) point
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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