Chemical Properties of Ethyl 2-[bis(2-ethoxyethyl)amino]acetate

InChI

InChI=1S/C12H25NO4/c1-4-15-9-7-13(8-10-16-5-2)11-12(14)17-6-3/h4-11H2,1-3H3

InChI Key

WIVGKIJWHFVGJU-UHFFFAOYSA-N

Formula

C12H25NO4

SMILES

CCOCCN(CCOCC)CC(=O)OCC

Molecular Weight¹

247.33

Other Names

• 2-[Bis(2-ethyloxyethyl)amino]acetic acid, ethyl ester

• 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	0.7234		Relay (1.0) Calculated Property
ΔfG°	-359.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-792.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.60	kJ/mol	Joback Calculated Property
ΔvapH°	76.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-0.60		Relay (1.0) Calculated Property
logPoct/wat	0.925		Crippen Calculated Property
McVol	209.100	ml/mol	McGowan Calculated Property
Pc	1734.67	kPa	Joback Calculated Property
Inp	[1526.00; 1526.00]
Inp	1526.00		NIST
Inp	1526.00		NIST
Tboil	558.00	K	Relay (1.0) Calculated Property
Tc	699.89	K	Relay (1.0) Calculated Property
Tfus	210.69	K	Relay (1.0) Calculated Property
Vc	0.778	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.70; 721.56]	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			5.76980e+01
Coefficient B			1.08656e+00
Coefficient C			-4.25000e-04
Coefficient D			2.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.70	J/mol×K	273.00	Calculated Property
Cp,gas	389.01	J/mol×K	353.78	Calculated Property
Cp,gas	449.80	J/mol×K	434.56	Calculated Property
Cp,gas	505.09	J/mol×K	515.33	Calculated Property
Cp,gas	554.87	J/mol×K	596.11	Calculated Property
Cp,gas	599.17	J/mol×K	676.89	Calculated Property
Cp,gas	637.97	J/mol×K	757.67	Calculated Property
Cp,gas	671.30	J/mol×K	838.44	Calculated Property
Cp,gas	699.16	J/mol×K	919.22	Calculated Property
Cp,gas	721.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2-[bis(2-ethoxyethyl)amino]acetate.

Sources

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

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