Aluminum fluoride
- Formula: AlF3
- Molecular weight: 83.9767482
- IUPAC Standard InChIKey: KLZUFWVZNOTSEM-UHFFFAOYSA-K
- CAS Registry Number: 7784-18-1
- 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: aluminium fluoride; Aluminum trifluoride
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering 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 | -1209.32 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 276.67 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1979 |
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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 4000. to 6000. |
---|---|
A | 83.06746 |
B | 0.033893 |
C | -0.005659 |
D | 0.000335 |
E | -3.326694 |
F | -1243.401 |
G | 363.1469 |
H | -1209.322 |
Reference | Chase, 1998 |
Comment | Data last reviewed in September, 1979 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
1511. to 1810. | 7.13005 | 7298.239 | -784.204 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Ion clustering 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
15.45 ± 0.02 | PE | Dyke, Kirby, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
AlF2+ | 15.5 ± 1.0 | F | EI | Hildenbrand, 1968 | RDSH |
AlF2+ | 15.2 ± 0.3 | F | EI | Ehlert, Blue, et al., 1964 | RDSH |
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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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: AlF4- + AlF3 = (AlF4- • AlF3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 204. ± 4.2 | kJ/mol | TDAs | Sidorov, Nikitin, et al., 1980 | gas phase; value altered from reference due to conversion from electron convention to ion convention; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 175. ± 8.4 | kJ/mol | TDAs | Sidorov, Nikitin, et al., 1980 | gas phase; value altered from reference due to conversion from electron convention to ion convention; B |
By formula: Cl- + AlF3 = (Cl- • AlF3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 311. ± 12. | kJ/mol | TDAs | Pervova, Korobov, et al., 1992 | gas phase; Thermo at 0K, experiment at 800-1100 K. See also AlClF2..F-; value altered from reference due to conversion from electron convention to ion convention; B |
By formula: F- + AlF3 = (F- • AlF3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 510. ± 90. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: (F- • AlF3) + AlF3 = (F- • 2AlF3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 230. | kJ/mol | MS | Pyatenko, Gusarov, et al., 1981 | gas phase; Knudsen cell; M |
ΔrH° | 204. | kJ/mol | MS | Nikitin, Skokan, et al., 1979 | gas phase; Knudsen cell; M |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Dyke, Kirby, et al., 1984
Dyke, J.M.; Kirby, C.; Morris, A.; Gravenor, B.W.J.; Klein, R.; Rosmus, P.,
A study of aluminium monofluoride and aluminium trifluoride by high-temperature photoelectron spectroscopy,
Chem. Phys., 1984, 88, 289. [all data]
Hildenbrand, 1968
Hildenbrand, D.L.,
Mass-spectrometric studies of bonding in the group IIA fluorides,
J. Chem. Phys., 1968, 48, 3657. [all data]
Ehlert, Blue, et al., 1964
Ehlert, T.C.; Blue, G.D.; Green, J.W.; Margrave, J.L.,
Mass spectrometric studies at high temperatures. IV. Dissociation energies of the alkaline earth monofluorides,
J. Chem. Phys., 1964, 41, 2250. [all data]
Sidorov, Nikitin, et al., 1980
Sidorov, L.N.; Nikitin, M.I.; Skokan, E.V.; Sorokin, I.D.,
Mass-spectrometric determination of enthalpies of dissociation of gaseous complex fluorides into neutral and charged particles. II. Heats of formation of AlF4- and KF2-,
Int. J. Mass Spectrom. Ion Phys., 1980, 35, 203. [all data]
Pervova, Korobov, et al., 1992
Pervova, Y.U.; Korobov, M.V.; Sidorov, L.N.,
Enthalpies of Bonds Rupture in AlClnF4-n(-) Anions,
Russ. J. Phys. Chem., 1992, 66, 635. [all data]
Pyatenko, Gusarov, et al., 1981
Pyatenko, A.T.; Gusarov, A.V.; Gorokhov, L.N.,
Negative Ions in the Vapor Over Lanthanum Trifluoride,
High Temp., 1981, 19, 241. [all data]
Nikitin, Skokan, et al., 1979
Nikitin, M.I.; Skokan, E.V.; Sorokin, I.D.; Sidorov, L.N.,
Sov. Phys. Dokl., 1979, 247, 594. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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