Formyl fluoride
- Formula: CHFO
- Molecular weight: 48.0164
- CAS Registry Number: 1493-02-3
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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 |
---|---|---|---|---|---|
ΔfH°gas | -90.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 58.920 | cal/mol*K | Review | Chase, 1998 | Data 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 | 1.786060 | 17.43950 |
B | 30.06771 | 1.345881 |
C | -22.07220 | -0.271410 |
D | 6.379981 | 0.018784 |
E | 0.062283 | -2.352560 |
F | -91.47780 | -100.8640 |
G | 53.39130 | 72.12299 |
H | -90.00010 | -90.00010 |
Reference | Chase, 1998 | Chase, 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 |
---|---|---|---|---|
5.83 | 220. | A | Stephenson and Malanowski, 1987 | Based on data from 178. to 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- + = CHFO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 352.6 ± 4.6 | kcal/mol | EIAE | Karpas and Klein, 1977 | gas phase; From HCOF. G3MP2B3 calculations indicate an EA of ca. 2.3 eV, HOF(A-) 7 kcal/mol less stable. |
ΔrH° | 349.7 ± 3.3 | kcal/mol | Acid | Thynne and MacNeil, 1970 | gas phase; From CF2O |
By formula: F- + CHFO = (F- • CHFO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >18.10 | kcal/mol | IMRB | Karpas and Klein, 1977 | gas 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) = k°H exp(d(ln(kH))/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(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | E | N/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 ± 0.02 | PE | Wittel, 1976 | LLK |
De-protonation reactions
CFO- + = CHFO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 352.6 ± 4.6 | kcal/mol | EIAE | Karpas and Klein, 1977 | gas phase; From HCOF. G3MP2B3 calculations indicate an EA of ca. 2.3 eV, HOF(A-) 7 kcal/mol less stable.; B |
ΔrH° | 349.7 ± 3.3 | kcal/mol | Acid | Thynne and MacNeil, 1970 | gas 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
By formula: F- + CHFO = (F- • CHFO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >18.10 | kcal/mol | IMRB | Karpas and Klein, 1977 | gas 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, 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
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, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) 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 ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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