Phosphoryl fluoride
- Formula: F3OP
- Molecular weight: 103.9684
- IUPAC Standard InChI: InChI=1S/F3OP/c1-5(2,3)4
- IUPAC Standard InChIKey: FFUQCRZBKUBHQT-UHFFFAOYSA-N
- CAS Registry Number: 13478-20-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Phosphorus oxyfluoride; Phosphoryl trifluoride; Trifluorophosphine oxide; Trifluorophosphorus oxide; POF3; Phosphoric trifluoride
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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 | -299.773 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1969 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 68.215 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1969 |
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 1100. | 1100. to 6000. |
|---|---|---|
| A | 9.591800 | 25.57560 |
| B | 36.42980 | 0.143753 |
| C | -31.80839 | -0.029027 |
| D | 10.00420 | 0.002006 |
| E | -0.128868 | -1.608540 |
| F | -304.4240 | -311.8360 |
| G | 69.56011 | 92.55129 |
| H | -299.7729 | -299.7729 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1969 | Data last reviewed in December, 1969 |
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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 12.76 ± 0.01 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 165.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 158.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 13.34 | EI | Neskovic, Miletic, et al., 1983 | LBLHLM |
| 12.77 ± 0.04 | PE | Basset and Lloyd, 1972 | LLK |
| 12.75 | PE | Frost, Herring, et al., 1971 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| FOP+ | 13.53 | F2- | EI | Neskovic, Miletic, et al., 1983 | LBLHLM |
| F2OP+ | 13.34 | F | EI | Neskovic, Miletic, et al., 1983 | LBLHLM |
| F2OP+ | 11.69 | F- | EI | Neskovic, Miletic, et al., 1983 | LBLHLM |
| OP+ | 16.83 | F-+F2 | EI | Neskovic, Miletic, et al., 1983 | LBLHLM |
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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Neskovic, Miletic, et al., 1983
Neskovic, O.; Miletic, M.; Veljkovic, M.; Golobocantin, D.; Zmbov, K.F.,
Ionization and fragmentation of phosphorous oxyfluoride by electron impact,
Int. J. Mass Spectrom. Ion Processes, 1983, 47, 141. [all data]
Basset and Lloyd, 1972
Basset, P.J.; Lloyd, D.R.,
Photoelectron spectra of halides. Part III. Trifluorides and oxide trifluorides of nitrogen and phosphorus, and phosphorus oxide trichloride,
J. Chem. Soc. Dalton Trans., 1972, 248. [all data]
Frost, Herring, et al., 1971
Frost, D.C.; Herring, F.G.; Mitchell, K.A.R.; Stenhouse, I.A.,
Photoelectron spectra and electronic structures of trifluoramine oxide and trifluorophosphine oxide,
J. Am. Chem. Soc., 1971, 93, 1596. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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