Triethylenediamine

Formula: C₆H₁₂N₂
Molecular weight: 112.1729
IUPAC Standard InChI: InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
IUPAC Standard InChIKey: IMNIMPAHZVJRPE-UHFFFAOYSA-N
CAS Registry Number: 280-57-9
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: 1,4-Diazabicyclo[2.2.2]octane; Bicyclo[2.2.2]-1,4-diazaoctane; D 33LV; Dabco; Dabco 33LV; N,N'-endo-Ethylenepiperazine; 1,4-Diaza[2.2.2]bicyclooctane; 1,4-Ethylenepiperazine; Dabco R-8020; Dabco S-25; Dabco crystalline; TEDA-L33; Tegoamin 33; Texacat TD-33; Bicyclo[2.2.2]octane, 1,4-diaza-; Dabco Crystal; NSC 56362; TED; TEDA; Texacat TD 100; 1,4-diazabicyclooctane; 1,4 Diazabicyclo (2,2,2)octane
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Condensed phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_solid	28.2 ± 3.7	kJ/mol	Ccr	Rapport, Westrum, et al., 1971	Author was aware that data differs from previously reported values; ALS
Δ_fH°_solid	-14.2 ± 8.4	kJ/mol	Ccb	Parris, Raybin, et al., 1964	Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -13. ± 9.2 kJ/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-4104.3 ± 3.6	kJ/mol	Ccr	Rapport, Westrum, et al., 1971	Author was aware that data differs from previously reported values; ALS
Δ_cH°_solid	-4062. ± 8.4	kJ/mol	Ccb	Parris, Raybin, et al., 1964	ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	157.61	J/mol*K	N/A	Westrum, 1961	DH
S°_{solid,1 bar}	157.61	J/mol*K	N/A	Chang and Westrum, 1960	DH

Constant pressure heat capacity of solid

C_p,solid (J/mol*K)	Temperature (K)	Reference	Comment
153.97	300.	Trowbridge and Westrum, 1963	crystaline, II phase; T = 300 to 450 K.; DH
153.18	298.15	Westrum, 1961	T = 5 to 350 K. Only value at 298.15 K given.; DH
152.97	298.15	Chang and Westrum, 1960	T = 5 to 353 K.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

Rapport, Westrum, et al., 1971
Rapport, N.J.; Westrum, E.F., Jr.; Andrews, J.T.S., Enthalpies of formation for globular molecules. III. Succinonitrile and triethylenediamine, J. Am. Chem. Soc., 1971, 93, 4363-4365. [all data]

Parris, Raybin, et al., 1964
Parris, M.; Raybin, P.S.; Labowitz, L.C., Enthalpy of combustion and related thermodynamic properties of triethylenediamine, J. Chem. Eng. Data, 1964, 9, 221-223. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Westrum, 1961
Westrum, E.F., Jr., The thermophysical properties of three globular molecules, J. Phys. Chem. Solids, 1961, 18, 83-85. [all data]

Chang and Westrum, 1960
Chang, S.-S.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. II. Triethylenediamine, J. Phys. Chem., 1960, 64, 1551-1552. [all data]

Trowbridge and Westrum, 1963
Trowbridge, J.C.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. VII. Transition and fusion of triethylenediamine, J. Phys. Chem., 1963, 67, 2381-2385. [all data]

Notes

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Symbols used in this document:

C_p,solid	Constant pressure heat capacity of solid
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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