Chemical Properties of N,N-DIMETHYLGLYCINE METHYL ESTER

InChI

InChI=1S/C5H11NO2/c1-6(2)4-5(7)8-3/h4H2,1-3H3

InChI Key

LRZFEBJUJIQVDQ-UHFFFAOYSA-N

Formula

C5H11NO2

SMILES

COC(=O)CN(C)C

Molecular Weight¹

117.15

Other Names

• Methyl (dimethylamino) acetate
• (CH3)2NCH2COOCH3

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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	0.4009		Relay (1.0) Calculated Property
ΔcH°liquid	-3125.30 ± 0.63	kJ/mol	NIST
ΔfH°gas	-370.40 ± 0.79	kJ/mol	NIST
ΔfH°liquid	-414.30 ± 0.67	kJ/mol	NIST
ΔfusH°	16.10	kJ/mol	Joback Calculated Property
ΔvapH°	43.93 ± 0.46	kJ/mol	NIST
IE	[7.96; 7.96]	eV
IE	7.96 ± 0.03	eV	NIST
IE	7.96 ± 0.05	eV	NIST
log10WS	0.73		Relay (1.0) Calculated Property
logPoct/wat	-0.279		Crippen Calculated Property
McVol	98.730	ml/mol	McGowan Calculated Property
Pc	3480.65	kPa	Joback Calculated Property
Inp	[809.00; 810.00]
Inp	809.00		NIST
Inp	810.00		NIST
Tboil	388.56	K	Relay (1.0) Calculated Property
Tc	580.65	K	Relay (1.0) Calculated Property
Tfus	190.02	K	Relay (1.0) Calculated Property
Vc	0.380	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.40; 323.42]	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			1.30610e+01
Coefficient B			5.47960e-01
Coefficient C			-2.66200e-04
Coefficient D			2.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.40	J/mol×K	273.00	Calculated Property
Cp,gas	174.87	J/mol×K	353.78	Calculated Property
Cp,gas	203.26	J/mol×K	434.56	Calculated Property
Cp,gas	228.66	J/mol×K	515.33	Calculated Property
Cp,gas	251.17	J/mol×K	596.11	Calculated Property
Cp,gas	270.87	J/mol×K	676.89	Calculated Property
Cp,gas	287.86	J/mol×K	757.67	Calculated Property
Cp,gas	302.22	J/mol×K	838.44	Calculated Property
Cp,gas	314.04	J/mol×K	919.22	Calculated Property
Cp,gas	323.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N-DIMETHYLGLYCINE METHYL ESTER.

Sources

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

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