Formyl fluoride


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-90.000kcal/molReviewChase, 1998Data last reviewed in June, 1961
Quantity Value Units Method Reference Comment
gas,1 bar58.920cal/mol*KReviewChase, 1998Data last reviewed in June, 1961

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 1.78606017.43950
B 30.067711.345881
C -22.07220-0.271410
D 6.3799810.018784
E 0.062283-2.352560
F -91.47780-100.8640
G 53.3913072.12299
H -90.00010-90.00010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1961 Data last reviewed in June, 1961

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: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.83220.AStephenson and Malanowski, 1987Based on data from 178. to 235. K. See also Fischer and Buchanan, 1964 and Dykyj, 1970.

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)

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

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
3.0 EN/A 

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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
12.37 ± 0.02PEWittel, 1976LLK

De-protonation reactions

CFO- + Hydrogen cation = CHFO

By formula: CFO- + H+ = CHFO

Quantity Value Units Method Reference Comment
Δr352.6 ± 4.6kcal/molEIAEKarpas and Klein, 1977gas phase; From HCOF. G3MP2B3 calculations indicate an EA of ca. 2.3 eV, HOF(A-) 7 kcal/mol less stable.; B
Δr349.7 ± 3.3kcal/molAcidThynne and MacNeil, 1970gas phase; From CF2O; 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.

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

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Fischer and Buchanan, 1964
Fischer, G.; Buchanan, AS, Vapour pressures of formyl fluoride and carbonyl chlorofluoride, Aust. J. Chem., 1964, 17, 4, 481-621, https://doi.org/10.1071/CH9640481 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Wittel, 1976
Wittel, K., The photoelectron spectrum of formylfluoride, J. Electron Spectrosc. Relat. Phenom., 1976, 8, 245. [all data]

Karpas and Klein, 1977
Karpas, Z.; Klein, F.S., The gas phase ion chemistry of carbonyl compounds: Formyl fluoride and a binary mixture of H2CO-F2CO or H2CO-Cl2CO, Int. J. Mass Spectrom. Ion Phys., 1977, 24, 137. [all data]

Thynne and MacNeil, 1970
Thynne, J.C.J.; MacNeil, K.A.G., Ionisation and dissociation of carbonyl fluoride and trifluoromethyl hypofluorite by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 95. [all data]


Notes

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