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aluminium chloride

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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
Deltafgas-584.59kJ/molReviewChase, 1998Data last reviewed in September, 1979
Quantity Value Units Method Reference Comment
gas,1 bar314.44J/mol*KReviewChase, 1998Data 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. - 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
ReferenceChase, 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
Deltafliquid-674.80kJ/molReviewChase, 1998Data last reviewed in September, 1979
Quantity Value Units Method Reference Comment
liquid,1 bar172.91J/mol*KReviewChase, 1998Data last reviewed in September, 1979
Quantity Value Units Method Reference Comment
Deltafsolid-705.63kJ/molReviewChase, 1998Data last reviewed in September, 1979
Quantity Value Units Method Reference Comment
solid109.29J/mol*KReviewChase, 1998Data 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 - 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
ReferenceChase, 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. - 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
ReferenceChase, 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, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tc625.7KN/ADenisova and Baskova, 1968 
Quantity Value Units Method Reference Comment
Pc26.00barN/ADenisova and Baskova, 1968 
Quantity Value Units Method Reference Comment
rhoc3.82mol/lN/ADenisova and Baskova, 1968Uncertainty assigned by TRC = 0.04 mol/l; Vis, rect, TE

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Fluorine anion + AlCl3 = (Fluorine anion bullet AlCl3)

By formula: F- + AlCl3 = (F- bullet AlCl3)

Quantity Value Units Method Reference Comment
Deltar506. ± 13.kJ/molTDAsPervova, Korobov, et al., 1992gas phase; Thermo at 0K, experiments at 800-1100 K; value altered from reference due to conversion from electron convention to ion convention; B

Chlorine anion + AlCl3 = (Chlorine anion bullet AlCl3)

By formula: Cl- + AlCl3 = (Cl- bullet AlCl3)

Quantity Value Units Method Reference Comment
Deltar321. ± 12.kJ/molTDAsPervova, Korobov, et al., 1992gas phase; Thermo at 0K, experiments at 800-1100 K; value altered from reference due to conversion from electron convention to ion convention; B

2Hydrogen chloride (g) + Aluminum, chlorodiethyl- (l) = AlCl3 (cr) + 2Ethane (g)

By formula: 2HCl (g) + C4H10AlCl (l) = AlCl3 (cr) + 2C2H6 (g)

Quantity Value Units Method Reference Comment
Deltar-265.0 ± 3.3kJ/molRSCShaulov and Shmyreva, 1968The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS

AlCl3 (cr) + 2Aluminum, triethyl- (l) = 3Aluminum, chlorodiethyl- (l)

By formula: AlCl3 (cr) + 2C6H15Al (l) = 3C4H10AlCl (l)

Quantity Value Units Method Reference Comment
Deltar-66.8 ± 1.3kJ/molRSCSmith, 1974Please also see Pedley and Rylance, 1977.; MS

Gas phase ion energetics 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:
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 ± 0.5EIPorter and Zeller, 1960RDSH
12.01PEBarker, Lappert, et al., 1975Vertical value; LLK
12.01PELappert, Pedley, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Al+22.1 ± 0.5?EIPorter and Zeller, 1960RDSH
AlCl+19.5 ± 0.5?EIWahlbeck, 1987LBLHLM
AlCl+19.7 ± 0.5?EIPorter and Zeller, 1960RDSH
AlCl2+13.4 ± 0.5ClEIPorter and Zeller, 1960RDSH

Ion clustering 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: 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

Chlorine anion + AlCl3 = (Chlorine anion bullet AlCl3)

By formula: Cl- + AlCl3 = (Cl- bullet AlCl3)

Quantity Value Units Method Reference Comment
Deltar321. ± 12.kJ/molTDAsPervova, Korobov, et al., 1992gas phase; Thermo at 0K, experiments at 800-1100 K; value altered from reference due to conversion from electron convention to ion convention

Fluorine anion + AlCl3 = (Fluorine anion bullet AlCl3)

By formula: F- + AlCl3 = (F- bullet AlCl3)

Quantity Value Units Method Reference Comment
Deltar506. ± 13.kJ/molTDAsPervova, Korobov, et al., 1992gas phase; Thermo at 0K, experiments at 800-1100 K; value altered from reference due to conversion from electron convention to ion convention

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, 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: Takehiko Shimanouchi

Symmetry:   C3nu     Symmetry Number sigma = 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

pPolarized
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, 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]

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]

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, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, References