Chemical Properties of 2,2',2''-Nitrilotriethanol, trimethyl ether

InChI

InChI=1S/C9H21NO3/c1-11-7-4-10(5-8-12-2)6-9-13-3/h4-9H2,1-3H3

InChI Key

QYOCMIVPWWBWGX-UHFFFAOYSA-N

Formula

C9H21NO3

SMILES

COCCN(CCOC)CCOC

Molecular Weight¹

191.27

Other Names

• Tris(2-methoxyethyl)amine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5934		Relay (1.0) Calculated Property
ΔfG°	-179.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-506.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.65	kJ/mol	Joback Calculated Property
ΔvapH°	61.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	0.29		Relay (1.0) Calculated Property
logPoct/wat	0.228		Crippen Calculated Property
McVol	165.260	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1274.00; 1274.00]
Inp	1274.00		NIST
Inp	1274.00		NIST
Tboil	506.20	K	Relay (1.0) Calculated Property
Tc	647.05	K	Relay (1.0) Calculated Property
Tfus	217.30	K	Relay (1.0) Calculated Property
Vc	0.600	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.13; 577.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.05160e+01
Coefficient B			7.93160e-01
Coefficient C			-2.45400e-04
Coefficient D			-3.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.13	J/mol×K	273.00	Calculated Property
Cp,gas	309.03	J/mol×K	353.78	Calculated Property
Cp,gas	356.30	J/mol×K	434.56	Calculated Property
Cp,gas	399.83	J/mol×K	515.33	Calculated Property
Cp,gas	439.54	J/mol×K	596.11	Calculated Property
Cp,gas	475.31	J/mol×K	676.89	Calculated Property
Cp,gas	507.07	J/mol×K	757.67	Calculated Property
Cp,gas	534.69	J/mol×K	838.44	Calculated Property
Cp,gas	558.09	J/mol×K	919.22	Calculated Property
Cp,gas	577.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,2',2''-Nitrilotriethanol, trimethyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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