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
The 3d structure may be viewed using Java or Javascript. - 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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Gas phase thermochemistry data
Go To: Top, Condensed phase 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 90.4 ± 6.7 | kJ/mol | Ccr | Rapport, Westrum, et al., 1971 | Author was aware that data differs from previously reported values; ALS |
| ΔfH°gas | 48.0 | kJ/mol | N/A | Parris, Raybin, et al., 1964 | Value computed using ΔfHsolid° value of -14.2±8.4 kj/mol from Parris, Raybin, et al., 1964 and ΔsubH° value of 62.2 kj/mol from Rapport, Westrum, et al., 1971.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas phase 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:
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 |
|---|---|---|---|---|---|
| ΔfH°solid | 28.2 ± 3.7 | kJ/mol | Ccr | Rapport, Westrum, et al., 1971 | Author was aware that data differs from previously reported values; ALS |
| ΔfH°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 |
| ΔcH°solid | -4104.3 ± 3.6 | kJ/mol | Ccr | Rapport, Westrum, et al., 1971 | Author was aware that data differs from previously reported values; ALS |
| ΔcH°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
| Cp,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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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