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. - 1000.1000. - 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. - 235. K. See also Fischer and Buchanan, 1964 and Dykyj, 1970.

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 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.

Individual 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.
Δr349.7 ± 3.3kcal/molAcidThynne and MacNeil, 1970gas phase; From CF2O

Fluorine anion + CHFO = (Fluorine anion • CHFO)

By formula: F- + CHFO = (F- • CHFO)

Quantity Value Units Method Reference Comment
Δr>18.10kcal/molIMRBKarpas and Klein, 1977gas phase; FCO- + HCFO ->. Computations indicate HOF(A-) ca. -134, dHaff ca. 33 kcal/mol

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

Ion clustering 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Fluorine anion + CHFO = (Fluorine anion • CHFO)

By formula: F- + CHFO = (F- • CHFO)

Quantity Value Units Method Reference Comment
Δr>18.10kcal/molIMRBKarpas and Klein, 1977gas phase; FCO- + HCFO ->. Computations indicate HOF(A-) ca. -134, dHaff ca. 33 kcal/mol

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, 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]

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]

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]

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


Notes

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