Aluminum, triethyl-

Formula: C₆H₁₅Al
Molecular weight: 114.1648
IUPAC Standard InChI: InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;
IUPAC Standard InChIKey: VOITXYVAKOUIBA-UHFFFAOYSA-N
CAS Registry Number: 97-93-8
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Triethylaluminum; TEA; Triethylaluminium; UN 1102
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Gas phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-27.3 ± 1.3	kcal/mol	Review	Martinho Simões	Selected data. The enthalpy of formation relies on -428.51 ± 0.45 kcal/mol for the enthalpy of formation of Al(acac)3(cr). Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.
Δ_fH°_gas	-23.6 ± 1.6	kcal/mol	Review	Martinho Simões	Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.
Δ_fH°_gas	-39.13 ± 0.88	kcal/mol	Review	Martinho Simões	Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.
Δ_fH°_gas	-34.4 ± 2.2	kcal/mol	Review	Martinho Simões	Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2
Δ_fH°_gas	-23.9 ± 1.2	kcal/mol	Review	Martinho Simões	The enthalpy of formation was quoted from Tel'noi and Rabinovich, 1980 and relies on experimental data in Fic, 1966. Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.

Condensed phase thermochemistry data

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Data compiled as indicated in comments:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-44.8 ± 1.2	kcal/mol	Review	Martinho Simões	Selected data. The enthalpy of formation relies on -428.51 ± 0.45 kcal/mol for the enthalpy of formation of Al(acac)3(cr). Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.; MS
Δ_fH°_liquid	-41.1 ± 1.6	kcal/mol	Review	Martinho Simões	Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.; MS
Δ_fH°_liquid	-56.62 ± 0.74	kcal/mol	Review	Martinho Simões	Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.; MS
Δ_fH°_liquid	-51.9 ± 2.1	kcal/mol	Review	Martinho Simões	Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2; MS
Δ_fH°_liquid	-41.4 ± 1.1	kcal/mol	CC-SB	Tel'noi and Rabinovich, 1980	Value corrected based on a set of ancillary data by J.A. Martinho Sim�es; The enthalpy of formation was quoted from Tel'noi and Rabinovich, 1980 and relies on experimental data in Fic, 1966. Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.; MS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-1220.3 ± 0.69	kcal/mol	CC-SB	Pawlenko, 1967	Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS
Δ_cH°_liquid	-1225.0 ± 2.1	kcal/mol	CC-SB	Shaulov, Shmyreva, et al., 1965	Please also see Cox and Pilcher, 1970.; MS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	73.61	cal/mol*K	N/A	Rabinovich, Nistratov, et al., 1989	DH
S°_liquid	73.57	cal/mol*K	N/A	Sheiman, Nistratov, et al., 1984	DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
57.12	298.15	Rabinovich, Nistratov, et al., 1989	T = 5 to 313 K.; DH
57.12	298.15	Sheiman, Nistratov, et al., 1984	T = 5 to 300 K.; DH

Phase change data

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Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
T_boil	466.0	K	N/A	Dibrivnyi, Dolbneva, et al., 1986	Uncertainty assigned by TRC = 1. K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	225.00	K	N/A	Rabinovich, Nistratov, et al., 1989, 2	Uncertainty assigned by TRC = 0.02 K; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	17.5 ± 0.50	kcal/mol	RSC	Fowell, 1961	MS

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)

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Temperature (K)	A	B	C	Reference	Comment
330. to 399.	7.40823	3451.295	2.14	Fic and Dvorak, 1965	Coefficents calculated by NIST from author's data.

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Reference	Comment
2.5335	225.00	Rabinovich, Nistratov, et al., 1989	DH
2.5335	225.00	Sheiman, Nistratov, et al., 1984	DH
2.53	225.	Domalski and Hearing, 1996	AC

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
11.26	225.00	Rabinovich, Nistratov, et al., 1989	DH
11.26	225.00	Sheiman, Nistratov, et al., 1984	DH

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 compiled by: 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

C₁₂H₃₀Al₂ (g) = 2 Aluminum, triethyl- (g)

By formula: C₁₂H₃₀Al₂ (g) = 2C₆H₁₅Al (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.2 ± 0.31	kcal/mol	N/A	Smith, 1972	The values were derived from the thermochemistry of the equilibrium in the liquid phase and from vapor pressure data Smith, 1972.

3 (g) + Aluminum, triethyl- (l) = AlH₃O₃ (amorphous) + 3 (g)

By formula: 3H₂O (g) + C₆H₁₅Al (l) = AlH₃O₃ (amorphous) + 3C₂H₆ (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-154.7 ± 1.5	kcal/mol	RSC	Fowell, 1961	Please also see Cox and Pilcher, 1970. Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.

C₁₂H₃₀Al₂ (l) = 2 Aluminum, triethyl- (l)

By formula: C₁₂H₃₀Al₂ (l) = 2C₆H₁₅Al (l)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.9 ± 0.24	kcal/mol	EqS	Smith, 1967

AlI₃ (cr) + 2 Aluminum, triethyl- (l) = 3C₄H₁₀AlI (l)

By formula: AlI₃ (cr) + 2C₆H₁₅Al (l) = 3C₄H₁₀AlI (l)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-17.5 ± 0.33	kcal/mol	RSC	Smith, 1974	Please also see Pedley and Rylance, 1977.

AlBr₃ (cr) + 2 Aluminum, triethyl- (l) = 3C₄H₁₀AlBr (l)

By formula: AlBr₃ (cr) + 2C₆H₁₅Al (l) = 3C₄H₁₀AlBr (l)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-21.8 ± 0.43	kcal/mol	RSC	Smith, 1974	Please also see Pedley and Rylance, 1977.

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-16.0 ± 0.31	kcal/mol	RSC	Smith, 1974	Please also see Pedley and Rylance, 1977.

C₂H₅AlI₂ (l) + Aluminum, triethyl- (l) = 2C₄H₁₀AlI (l)

By formula: C₂H₅AlI₂ (l) + C₆H₁₅Al (l) = 2C₄H₁₀AlI (l)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-8.7 ± 0.2	kcal/mol	RSC	Smith, 1974	Please also see Pedley and Rylance, 1977.

C₂H₅AlBr₂ (l) + Aluminum, triethyl- (l) = 2C₄H₁₀AlBr (l)

By formula: C₂H₅AlBr₂ (l) + C₆H₁₅Al (l) = 2C₄H₁₀AlBr (l)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-9.5 ± 0.2	kcal/mol	RSC	Smith, 1974	Please also see Pedley and Rylance, 1977.

(l) + Aluminum, triethyl- (l) = 2 (l)

By formula: C₂H₅AlCl₂ (l) + C₆H₁₅Al (l) = 2C₄H₁₀AlCl (l)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-9.4 ± 0.2	kcal/mol	RSC	Smith, 1974	Please also see Pedley and Rylance, 1977.

Mass spectrum (electron ionization)

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number	62169

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Smith, 1967
Smith, M.B., J. Phys. Chem., 1967, 71, 364. [all data]

Tel'noi and Rabinovich, 1980
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1980, 49, 603. [all data]

Fic, 1966
Fic, V., Chem. Prum., 1966, 16, 607. [all data]

Pawlenko, 1967
Pawlenko, S., Chem. Ber., 1967, 100, 3591. [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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Shaulov, Shmyreva, et al., 1965
Shaulov, Yu.Kh.; Shmyreva, G.O.; Tubyanskaya, V.S., Russ. J. Phys. Chem., 1965, 39, 51. [all data]

Rabinovich, Nistratov, et al., 1989
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Klimov, K.N.; Kamelov, G.P.; Zorin, A.D., Specific heat and thermodynamic functions of triethylaluminium, Zhur. Fiz. Khim., 1989, 63, 522-525. [all data]

Sheiman, Nistratov, et al., 1984
Sheiman, M.S.; Nistratov, V.P.; Kamelova, G.P.; Rabinovich, I.B., Low-temperature heat capacity of organic compounds of aluminum and zinc, Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, 1984, 2, 457-459. [all data]

Dibrivnyi, Dolbneva, et al., 1986
Dibrivnyi, V.N.; Dolbneva, T.N.; Dikii, M.A., Saturated vapor pressure and vaporization enthalpies of aromatic peroxides in Vses. Konf. po Kalorimetrii i Khim. Termodinamike, 11th, Novosibirsk, Nr 2, p 115, 1986. [all data]

Rabinovich, Nistratov, et al., 1989, 2
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Klimov, K.N.; Kamelova, G.P.; Zorin, A.D., Specific heat and thermodynamic functions of triethylaluminium, Zh. Fiz. Khim., 1989, 63, 522-5. [all data]

Fowell, 1961
Fowell, P.A., Ph. D. Thesis, University of Manchester, 1961. [all data]

Fic and Dvorak, 1965
Fic, V.; Dvorak, J., Organo-Aluminum Compounds. 1. Vapor Pressure of Triethyl Aluminum and Diethyl Aluminium Chloride, Chem. Prum., 1965, 15, 732-735. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Smith, 1972
Smith, M.B., J. Organometal. Chem., 1972, 46, 31. [all data]

Smith, 1974
Smith, M.B., J. Organometal. Chem., 1974, 76, 171. [all data]

Notes

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Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
S°_liquid	Entropy of liquid at standard conditions
T_boil	Boiling point
T_triple	Triple point temperature
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions
Δ_vapH°	Enthalpy of vaporization at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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