aluminium chloride
- Formula: AlCl3
- Molecular weight: 133.341
- CAS Registry Number: 7446-70-0
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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 |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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:
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 |
Gas phase ion energetics data
Go To: Top, 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.
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.8 ± 0.5 | EI | Porter and Zeller, 1960 | RDSH |
12.01 | PE | Barker, Lappert, et al., 1975 | Vertical value; LLK |
12.01 | PE | Lappert, Pedley, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Al+ | 22.1 ± 0.5 | ? | EI | Porter and Zeller, 1960 | RDSH |
AlCl+ | 19.5 ± 0.5 | ? | EI | Wahlbeck, 1987 | LBLHLM |
AlCl+ | 19.7 ± 0.5 | ? | EI | Porter and Zeller, 1960 | RDSH |
AlCl2+ | 13.4 ± 0.5 | Cl | EI | Porter and Zeller, 1960 | RDSH |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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]
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]
Porter and Zeller, 1960
Porter, R.F.; Zeller, E.E.,
Mass spectra of aluminum(III) halides and the heats of dissociation of Al2F6(g) and LiFAlF3(g),
J. Chem. Phys., 1960, 33, 858. [all data]
Barker, Lappert, et al., 1975
Barker, G.K.; Lappert, M.F.; Pedley, J.B.; Sharp, G.J.; Westwood, N.P.C.,
Bonding studies of boron and the group 3-5 elements. Part XV. He(I) photoelectron spectra of monomeric group 3 tri-halide, trimethyl, and mixed halogenomethyl species,
J. Chem. Soc. Dalton Trans., 1975, 1765. [all data]
Lappert, Pedley, et al., 1974
Lappert, M.F.; Pedley, J.B.; Sharp, G.J.; Westwood, N.P.C.,
Bonding studies of compounds of boron and the Group III and IV elements. XII. Variable temperature HeI photoelectron spectra of Group III halides, 2MX3<=>M2X6(M=Al or Ga, X=Cl, Br, or I),
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 237. [all data]
Wahlbeck, 1987
Wahlbeck, P.G.,
Mass spectrometry of and standard enthalpies of formation of gaseous sodium tetrachloroaluminate and its dimer,
J. Chem. Phys., 1987, 87, 654. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid 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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