Aluminum chloride fluoride
- Formula: AlCl2F
- Molecular weight: 116.886
- IUPAC Standard InChI: InChI=1S/Al.2ClH.FH/h;3*1H/q+3;;;/p-3
- IUPAC Standard InChIKey: JNGNDYHADNWZFG-UHFFFAOYSA-K
- CAS Registry Number: 13497-96-6
- Chemical structure:
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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 | -189.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1976 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 74.405 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1976 |
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. - 6000. |
|---|---|
| A | 19.16890 |
| B | 0.591596 |
| C | -0.159033 |
| D | 0.013504 |
| E | -0.265743 |
| F | -195.6310 |
| G | 95.93760 |
| H | -189.0000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1976 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry 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 by: John E. Bartmess
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: Cl- + AlCl2F = (Cl- • AlCl2F)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 75.3 ± 2.9 | kcal/mol | TDAs | Pervova, Korobov, et al., 1992 | gas phase; Thermo at 0K, experiemnts at 800-1100K. See also AlCl3..F-; value altered from reference due to conversion from electron convention to ion convention |
+
= (
•
)
By formula: F- + AlCl2F = (F- • AlCl2F)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 119.3 ± 2.9 | kcal/mol | TDAs | Pervova, Korobov, et al., 1992 | gas phase; Thermo at 0K, experiments at 800-1100 K; value altered from reference due to conversion from electron convention to ion convention |
Ion clustering data
Go To: Top, Gas 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.
Data compiled by: John E. Bartmess
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: Cl- + AlCl2F = (Cl- • AlCl2F)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 75.3 ± 2.9 | kcal/mol | TDAs | Pervova, Korobov, et al., 1992 | gas phase; Thermo at 0K, experiemnts at 800-1100K. See also AlCl3..F-; value altered from reference due to conversion from electron convention to ion convention |
+
= (
•
)
By formula: F- + AlCl2F = (F- • AlCl2F)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 119.3 ± 2.9 | kcal/mol | TDAs | Pervova, Korobov, et al., 1992 | gas phase; Thermo at 0K, experiments at 800-1100 K; value altered from reference due to conversion from electron convention to ion convention |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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