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
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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 | -289.034 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 66.126 | cal/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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 4000. to 6000. |
---|---|
A | 19.85360 |
B | 0.008101 |
C | -0.001352 |
D | 0.000080 |
E | -0.795099 |
F | -297.1800 |
G | 86.79419 |
H | -289.0349 |
Reference | Chase, 1998 |
Comment | Data last reviewed in September, 1979 |
Condensed 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°liquid | -340.048 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 22.80 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -360.99 ± 0.31 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°solid | -360.999 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 15.9 ± 0.1 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 15.89 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Liquid 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) | 2523. to 4000. |
---|---|
A | 30.00000 |
B | -6.304401×10-7 |
C | 1.676970×10-7 |
D | -1.551321×10-8 |
E | -6.130620×10-7 |
F | -357.6690 |
G | 48.15970 |
H | -340.0480 |
Reference | Chase, 1998 |
Comment | Data last reviewed in September, 1979 |
Solid 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 728. | 728. to 2523. |
---|---|---|
A | -6.494652 | 22.21970 |
B | 142.0330 | 2.071660 |
C | -249.1090 | 0.035493 |
D | 158.3280 | -0.001599 |
E | 0.004604 | -0.225330 |
F | -363.4739 | -368.3960 |
G | -24.61881 | 40.69680 |
H | -361.0000 | -361.0000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1979 | Data last reviewed in September, 1979 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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 (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
1511. to 1810. | 7.12434 | 7298.239 | -784.204 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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
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
By formula: F- + AlF3 = (F- • AlF3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. ± 20. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: AlF4- + AlF3 = (AlF4- • AlF3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.8 ± 1.0 | kcal/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° | 41.8 ± 2.0 | kcal/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° | 74.3 ± 2.9 | kcal/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) + AlF3 = (F- • 2AlF3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56. | kcal/mol | MS | Pyatenko, Gusarov, et al., 1981 | gas phase; Knudsen cell; M |
ΔrH° | 48.8 | kcal/mol | MS | Nikitin, Skokan, et al., 1979 | gas phase; Knudsen cell; M |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [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]
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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid 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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