Carbonyl fluoride
- Formula: CFO
- Molecular weight: 47.0085
- CAS Registry Number: 1871-24-5
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
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 | -40.999 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 59.388 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1965 |
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 1200. | 1200. to 6000. |
---|---|---|
A | 5.983600 | 13.55670 |
B | 13.74040 | 0.189250 |
C | -9.621590 | -0.037052 |
D | 2.502161 | 0.002501 |
E | 0.001096 | -1.151841 |
F | -43.31109 | -47.82770 |
G | 62.94381 | 71.96291 |
H | -41.00000 | -41.00000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1965 | Data last reviewed in December, 1965 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, References, Notes
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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
View reactions leading to CFO+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°(+) ion | 178.1 ± 2.3 | kcal/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 178.0 ± 2.0 | kcal/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.90 ± 0.24 | D-EA | Karpas and Klein, 1977 | From HCOF. G3MP2B3 calculations indicate an EA of ca. 2.3 eV, HOF(A-) 7 kcal/mol less stable.; B |
3.30001 | EIAE | Harland and Thynne, 1970 | From (CF3)2CO; B |
3.02 ± 0.16 | R-A | Thynne and MacNeil, 1970 | From CF2O; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.30 ± 0.10 | DER | Buckley, Johnson, et al., 1995 | LL |
≤9.7 | PI | Buckley, Johnson, et al., 1995 | LL |
8.76 ± 0.32 | PE | Dyke, Jonathan, et al., 1981 | LLK |
11.26 ± 0.01 | PE | Buckley, Johnson, et al., 1995 | Vertical value; LL |
11.16 ± 0.03 | PI | Buckley, Johnson, et al., 1995 | Vertical value; LL |
References
Go To: Top, Gas phase thermochemistry 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]
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]
Harland and Thynne, 1970
Harland, P.; Thynne, J.C.J.,
Positive and negative ion formation in hexafluoroacetone by electron impact,
J. Phys. Chem., 1970, 74, 52. [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]
Buckley, Johnson, et al., 1995
Buckley, T.J.; Johnson, R.D.; Huie, R.E.; Zhang, Z.; Kuo, S.C.; Klemm, R.B.,
Ionization energies, appearance energies, and thermochemistry of CF2O and FCO,
J. Phys. Chem., 1995, 99, 4879. [all data]
Dyke, Jonathan, et al., 1981
Dyke, J.; Jonathan, N.; Morris, A.; Winter, M.,
First ionization potential of the FCO (X2A') radical studied using photoelectron spectroscopy,
J. Chem. Soc. Faraday Trans. 2, 1981, 77, 667. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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