aluminium chloride
- Formula: AlCl3
- Molecular weight: 133.341
- CAS Registry Number: 7446-70-0
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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 | -139.72 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 75.153 | 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) | 1500. to 6000. |
|---|---|
| A | 19.50030 |
| B | 0.315509 |
| C | -0.085246 |
| D | 0.007262 |
| E | -0.219374 |
| F | -146.2830 |
| G | 97.42710 |
| H | -139.7200 |
| 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 | -161.28 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 41.326 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -168.65 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 26.121 | 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) | 465.7 to 1500. |
|---|---|
| A | 30.00000 |
| B | 4.669052×10-10 |
| C | -4.519520×10-10 |
| D | 1.418810×10-10 |
| E | 5.319190×10-12 |
| F | -170.2270 |
| G | 77.63081 |
| H | -161.2820 |
| 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 465.7 |
|---|---|
| A | 15.52250 |
| B | 20.99440 |
| C | 0.004354 |
| D | -0.001111 |
| E | -0.000150 |
| F | -174.2120 |
| G | 38.64431 |
| H | -168.6500 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1979 |
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
MS - José A. Martinho Simões
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
+ AlCl3 = (
• AlCl3)
By formula: F- + AlCl3 = (F- • AlCl3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 120.9 ± 3.0 | 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; B |
+ AlCl3 = (
• AlCl3)
By formula: Cl- + AlCl3 = (Cl- • AlCl3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 76.7 ± 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; B |
2 (g) +
(l) = AlCl3 (cr) + 2
(g)
By formula: 2HCl (g) + C4H10AlCl (l) = AlCl3 (cr) + 2C2H6 (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -63.34 ± 0.79 | kcal/mol | RSC | Shaulov and Shmyreva, 1968 | The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS |
AlCl3 (cr) + 2 (l) = 3
(l)
By formula: AlCl3 (cr) + 2C6H15Al (l) = 3C4H10AlCl (l)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -16.0 ± 0.31 | kcal/mol | RSC | Smith, 1974 | Please also see Pedley and Rylance, 1977.; MS |
Vibrational and/or electronic energy levels
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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 by: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | Sym str | 375 | C | 380.2 | solid solid | 375 p | gas | ||
| a1 | 2 | Sym deform | 183 | C | 182.8 | solid solid | ||||
| e | 3 | Deg str | 595 | C | 594.7 | solid solid | ||||
| e | 4 | Deg deform | 150 | C | 149.2 | solid solid | 150 | gas | ||
Source: Shimanouchi, 1972
Notes
| p | Polarized |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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]
Shaulov and Shmyreva, 1968
Shaulov, Yu.Kh.; Shmyreva, G.O.,
Russ. J. Phys. Chem., 1968, 42, 1008. [all data]
Smith, 1974
Smith, M.B.,
J. Organometal. Chem., 1974, 76, 171. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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