Chemical Properties of Acetic acid, 2-(dimethylamino)ethyl ester (CAS 1421-89-2)

InChI

InChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3

InChI Key

GOLSFPMYASLXJC-UHFFFAOYSA-N

Formula

C6H13NO2

SMILES

CC(=O)OCCN(C)C

Molecular Weight¹

131.17

CAS

1421-89-2

Other Names

• Dimethylaminoethanol acetate
• Dimethylaminoethyl acetate
• 2-(Dimethylamino)ethyl acetate
• 2-Dimethylaminoethanol acetate
• CH3C(O)O(CH2)2N(CH3)2

• 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 : 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	0.4462		Relay (1.0) Calculated Property
ΔfG°	-199.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.69	kJ/mol	Joback Calculated Property
ΔvapH°	51.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	0.65		Relay (1.0) Calculated Property
logPoct/wat	0.111		Crippen Calculated Property
McVol	112.820	ml/mol	McGowan Calculated Property
Pc	3117.52	kPa	Joback Calculated Property
I	[1409.00; 1409.00]
I	1409.00		NIST
I	1409.00		NIST
Tboil	424.29	K	Relay (1.0) Calculated Property
Tc	597.50	K	Relay (1.0) Calculated Property
Tfus	220.64	K	Relay (1.0) Calculated Property
Vc	0.435	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.61; 375.01]	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			1.21520e+01
Coefficient B			6.42960e-01
Coefficient C			-3.20600e-04
Coefficient D			4.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.61	J/mol×K	273.00	Calculated Property
Cp,gas	201.28	J/mol×K	353.78	Calculated Property
Cp,gas	234.34	J/mol×K	434.56	Calculated Property
Cp,gas	263.89	J/mol×K	515.33	Calculated Property
Cp,gas	290.08	J/mol×K	596.11	Calculated Property
Cp,gas	313.03	J/mol×K	676.89	Calculated Property
Cp,gas	332.87	J/mol×K	757.67	Calculated Property
Cp,gas	349.73	J/mol×K	838.44	Calculated Property
Cp,gas	363.73	J/mol×K	919.22	Calculated Property
Cp,gas	375.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 2-(dimethylamino)ethyl ester.

Sources

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

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