Phosphorus pentafluoride
- Formula: F5P
- Molecular weight: 125.965778
- IUPAC Standard InChI: InChI=1S/F5P/c1-6(2,3,4)5
- IUPAC Standard InChIKey: OBCUTHMOOONNBS-UHFFFAOYSA-N
- CAS Registry Number: 7647-19-0
- 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(V) fluoride; PF5; Phosphorane, pentafluoro-; UN 2198; Phosphorus fluoride
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 188.3 | K | N/A | PCR Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 17.2 | 184. | QM | Linke and Rohrmann, 1937 | Based on data from 179. to 189. K.; AC |
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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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Individual Reactions
+
= (
•
)
By formula: F- + F5P = (F- • F5P)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 329. ± 14. | kJ/mol | TDAs | Aleshina, Borshchevskii, et al., 1996 | gas phase; The discrepancy with Larson and McMahon, 1985 is discussed but not resolved.; value altered from reference due to conversion from electron convention to ion convention; B |
| ΔrH° | 360. ± 42. | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
| ΔrH° | 423. ± 33. | kJ/mol | Ther | Mallouk, Rosenthal, et al., 1984 | gas phase; Fluoride affinities from this method appear to be consistently about 10 kcal/mol too bound; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 310. ± 42. | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Linke and Rohrmann, 1937
Linke, R.; Rohrmann, W.,
Z. Phys. Chem. Abt. B, 1937, 35, 256. [all data]
Aleshina, Borshchevskii, et al., 1996
Aleshina, V.E.; Borshchevskii, Ya.; Korobov, V.M.; Sidorov, L.N.,
The Enthalpy of Addition of the Fluorine Anion to the BF3 and PF5 Molecules,
Russ. J. Phys. Chem., 1996, 70, 1085. [all data]
Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
J. Am. Chem. Soc., 1985, 107, 766. [all data]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034
. [all data]
Mallouk, Rosenthal, et al., 1984
Mallouk, T.E.; Rosenthal, G.L.; Muller, G.; Brusasco, R.; Bartlett, N.,
Fluoride ion affinities of GeF4 and BF4 from thermodynamic and structural data for (SF2)2GeF6, ClO2GeF5, and ClO2BF4,
Inorg. Chem., 1984, 23, 3167. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Tboil Boiling point ΔrG° Free energy of reaction 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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