Chemical Properties of Triethylenediamine (CAS 280-57-9)

InChI

InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2

InChI Key

IMNIMPAHZVJRPE-UHFFFAOYSA-N

Formula

C6H12N2

SMILES

C1CN2CCN1CC2

Molecular Weight¹

112.17

CAS

280-57-9

Other Names

• 1,4 Diazabicyclo (2,2,2)octane
• 1,4-Diaza[2.2.2]bicyclooctane
• 1,4-Ethylenepiperazine
• 1,4-diazabicyclo[2.2.2]octane
• 1,4-diazabicyclooctane
• Bicyclo[2.2.2]-1,4-diazaoctane
• Bicyclo[2.2.2]octane, 1,4-diaza-
• D 33LV
• Dabco
• Dabco 33LV
• Dabco Crystal
• Dabco R-8020
• Dabco S-25
• Dabco crystalline
• N,N'-endo-Ethylenepiperazine
• NSC 56362
• TED
• TEDA
• TEDA-L33
• Tegoamin 33
• Texacat TD 100
• Texacat TD-33

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	963.40	kJ/mol	NIST
BasG	934.60	kJ/mol	NIST
ΔcH°solid	[-4104.30; -4062.00]	kJ/mol
ΔcH°solid	-4104.30 ± 3.60	kJ/mol	NIST
ΔcH°solid	-4062.00 ± 8.40	kJ/mol	NIST
ΔfH°gas	[48.00; 90.40]	kJ/mol
ΔfH°gas	90.40 ± 6.70	kJ/mol	NIST
ΔfH°gas	48.00	kJ/mol	NIST
ΔfH°solid	[-14.20; 28.20]	kJ/mol
ΔfH°solid	28.20 ± 3.70	kJ/mol	NIST
ΔfH°solid	-14.20 ± 8.40	kJ/mol	NIST
ΔsubH°	[61.90; 62.20]	kJ/mol
ΔsubH°	62.20	kJ/mol	NIST
ΔsubH°	61.90	kJ/mol	NIST
IE	[7.20; 7.70]	eV
IE	7.32 ± 0.00	eV	NIST
IE	7.32 ± 0.00	eV	NIST
IE	7.20 ± 0.00	eV	NIST
IE	7.20	eV	NIST
IE	7.52 ± 0.02	eV	NIST
IE	7.61	eV	NIST
IE	7.61	eV	NIST
IE	7.70	eV	NIST
IE	7.52	eV	NIST
IE	7.52	eV	NIST
logPoct/wat	-0.382		Crippen Calculated Property
McVol	93.640	ml/mol	McGowan Calculated Property
Inp	[1018.00; 1040.00]
Inp	1018.00		NIST
Inp	1023.00		NIST
Inp	1040.00		NIST
Inp	1018.00		NIST
I	[1520.00; 1548.00]
I	1520.00		NIST
I	1535.00		NIST
I	1531.00		NIST
I	1548.00		NIST
I	1548.00		NIST
I	1520.00		NIST
S°solid,1 bar	[157.61; 157.61]	J/mol×K
S°solid,1 bar	157.61	J/mol×K	NIST
S°solid,1 bar	157.61	J/mol×K	NIST
Tboil	447.15 ± 2.00	K	NIST
Tfus	[431.15; 434.25]	K
Tfus	432.45	K	Solubility of Triethylenediamine in Methanol, Ethanol, Isopropanol, I-Butanol, and Ethyl Acetate between 276.15 K and 363.15 K
Tfus	434.25	K	KDB
Tfus	431.15 ± 2.00	K	NIST
Ttriple	[432.99; 432.99]	K
Ttriple	432.99 ± 0.02	K	NIST
Ttriple	432.99 ± 0.02	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[152.97; 153.97]	J/mol×K	[298.15; 300.00]
Cp,solid	153.18	J/mol×K	298.15	NIST
Cp,solid	152.97	J/mol×K	298.15	NIST
Cp,solid	153.97	J/mol×K	300.00	NIST
ΔfusH	7.45	kJ/mol	433.00	NIST
ΔsubH	[52.30; 61.90]	kJ/mol	[337.50; 361.00]
ΔsubH	61.90 ± 3.30	kJ/mol	337.50	NIST
ΔsubH	54.40	kJ/mol	348.00	NIST
ΔsubH	52.30 ± 3.30	kJ/mol	361.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[339.67; 473.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44470e+01
Coefficient B			-3.45373e+03
Coefficient C			-9.57570e+01
Temperature range, min.			339.67
Temperature range, max.			473.81
Pvap	1.33	kPa	339.67	Calculated Property
Pvap	3.01	kPa	354.57	Calculated Property
Pvap	6.23	kPa	369.48	Calculated Property
Pvap	11.95	kPa	384.38	Calculated Property
Pvap	21.51	kPa	399.29	Calculated Property
Pvap	36.64	kPa	414.19	Calculated Property
Pvap	59.50	kPa	429.10	Calculated Property
Pvap	92.71	kPa	444.00	Calculated Property
Pvap	139.28	kPa	458.91	Calculated Property
Pvap	202.64	kPa	473.81	Calculated Property
Pvap	[0.52; 3916.43]	kPa	[323.15; 655.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.48808e+02
Coefficient B			-1.23733e+04
Coefficient C			-1.94220e+01
Coefficient D			1.00224e-05
Temperature range, min.			323.15
Temperature range, max.			655.00
Pvap	0.52	kPa	323.15	Calculated Property
Pvap	4.13	kPa	360.02	Calculated Property
Pvap	20.02	kPa	396.89	Calculated Property
Pvap	68.61	kPa	433.77	Calculated Property
Pvap	183.64	kPa	470.64	Calculated Property
Pvap	411.41	kPa	507.51	Calculated Property
Pvap	810.37	kPa	544.38	Calculated Property
Pvap	1454.51	kPa	581.26	Calculated Property
Pvap	2442.85	kPa	618.13	Calculated Property
Pvap	3916.43	kPa	655.00	Calculated Property

Similar Compounds

Find more compounds similar to Triethylenediamine.

Mixtures

• Ethylenediamine + Triethylenediamine
• Monoethanolamine + Triethylenediamine
• 1,2-Ethanediol + Triethylenediamine
• Ethanol + Triethylenediamine
• 2-Propanol + Triethylenediamine
• 1-Butanol + Triethylenediamine
• Ethyl Acetate + Triethylenediamine
• Methyl Alcohol + Triethylenediamine

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Vapor Liquid Equilibrium for Binary Mixtures of 1,4-Diazabicyclo[2.2.2]octane with Ethylenediamine, Ethanolamine, and Ethylene Glycol
• Solubility of Triethylenediamine in Methanol, Ethanol, Isopropanol, I-Butanol, and Ethyl Acetate between 276.15 K and 363.15 K
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.