Nitrogen trifluoride

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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.

Quantity Value Units Method Reference Comment
Δfgas-31.570kcal/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar62.326cal/mol*KReviewChase, 1998Data last reviewed in June, 1977

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1000.1000. to 6000.
A 6.32316019.72940
B 34.001100.082631
C -32.89039-0.017194
D 11.397000.001216
E -0.096676-1.071341
F -35.02330-40.55361
G 60.6566981.44981
H -31.57010-31.57010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1977 Data last reviewed in June, 1977

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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

Methyl cation + Nitrogen trifluoride = (Methyl cation • Nitrogen trifluoride)

By formula: CH3+ + F3N = (CH3+ • F3N)

Quantity Value Units Method Reference Comment
Δr53.6kcal/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

Fluorine anion + Nitrogen trifluoride = (Fluorine anion • Nitrogen trifluoride)

By formula: F- + F3N = (F- • F3N)

Quantity Value Units Method Reference Comment
Δr7.20 ± 0.30kcal/molTDAsHiraoka, Shimizu, et al., 1995gas phase; B

3Acetonitrile, trifluoro- + 5Nitrogen trifluoride = 6Tetrafluoromethane + 4Nitrogen

By formula: 3C2F3N + 5F3N = 6CF4 + 4N2

Quantity Value Units Method Reference Comment
Δr-824.40 ± 0.22kcal/molEqkWalker, Sinke, et al., 1970gas phase; ALS

3Ethane, hexafluoro- + 2Nitrogen trifluoride = 6Tetrafluoromethane + Nitrogen

By formula: 3C2F6 + 2F3N = 6CF4 + N2

Quantity Value Units Method Reference Comment
Δr-311.7 ± 3.0kcal/molCcbSinke, 1966gas phase; ALS

References

Go To: Top, Gas 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.

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

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Hiraoka, Shimizu, et al., 1995
Hiraoka, K.; Shimizu, A.; Minamitsu, A.; Nasu, M.; Fujimaki, S.; Yamabe, S., The small binding energies of the negative cluster ions: SF5-(SF6)1, SF6-(SF6)1 and F-(SF6)n (n=1 and 2), in the gas phase, Chem. Phys. Lett., 1995, 241, 5-6, 623, https://doi.org/10.1016/0009-2614(95)00676-U . [all data]

Walker, Sinke, et al., 1970
Walker, L.C.; Sinke, G.C.; Perettie, D.J.; Janz, G.J., Enthalpy of formation of trifluoroacetonitrile, J. Am. Chem. Soc., 1970, 92, 4525-4526. [all data]

Sinke, 1966
Sinke, G.C., The heat of reaction of nitrogen trifluoride and hexafluoroethane, J. Phys. Chem., 1966, 70, 1326-1327. [all data]


Notes

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