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 | -584.59 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 314.44 | 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) | 1500. to 6000. |
---|---|
A | 81.58926 |
B | 1.320091 |
C | -0.356670 |
D | 0.030382 |
E | -0.917861 |
F | -612.0481 |
G | 407.6350 |
H | -584.5885 |
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 | -674.80 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 172.91 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -705.63 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 109.29 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 465.7 to 1500. |
---|---|
A | 125.5200 |
B | 1.953532×10-9 |
C | -1.890968×10-9 |
D | 5.936301×10-10 |
E | 2.225549×10-11 |
F | -712.2298 |
G | 324.8073 |
H | -674.8039 |
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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 465.7 |
---|---|
A | 64.94614 |
B | 87.84057 |
C | 0.018217 |
D | -0.004649 |
E | -0.000627 |
F | -728.9030 |
G | 161.6878 |
H | -705.6316 |
Reference | Chase, 1998 |
Comment | Data last reviewed in September, 1979 |
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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tc | 625.7 | K | N/A | Denisova and Baskova, 1968 | |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 26.00 | bar | N/A | Denisova and Baskova, 1968 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.82 | mol/l | N/A | Denisova and Baskova, 1968 | Uncertainty assigned by TRC = 0.04 mol/l; Vis, rect, TE |
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
By formula: F- + AlCl3 = (F- • AlCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 506. ± 13. | kJ/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 |
By formula: Cl- + AlCl3 = (Cl- • AlCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 321. ± 12. | kJ/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° | -265.0 ± 3.3 | kJ/mol | RSC | Shaulov and Shmyreva, 1968 | The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS |
By formula: AlCl3 (cr) + 2C6H15Al (l) = 3C4H10AlCl (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -66.8 ± 1.3 | kJ/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, Phase change 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]
Denisova and Baskova, 1968
Denisova, N.D.; Baskova, A.P.,
Vapor Pressure and Critical Parameters of ALluminum Chloride,
Russ. J. Phys. Chem., 1968, 43, 1317-8. [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, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Pc Critical pressure 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 Tc Critical temperature 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 ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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