Chemical Properties of Glycine, methyl ester (CAS 616-34-2)

InChI

InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3

InChI Key

KQSSATDQUYCRGS-UHFFFAOYSA-N

Formula

C3H7NO2

SMILES

COC(=O)CN

Molecular Weight¹

89.09

CAS

616-34-2

Other Names

• NH2CH2COOCH3
• methyl glycinate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.4473		Relay (1.0) Calculated Property
ΔfH°gas	-378.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.09	kJ/mol	Joback Calculated Property
ΔvapH°	45.59	kJ/mol	Relay (1.0) Calculated Property
IE	[9.10; 9.80]	eV
IE	9.10	eV	NIST
IE	9.80	eV	NIST
log10WS	0.49		Relay (1.0) Calculated Property
logPoct/wat	-0.882		Crippen Calculated Property
McVol	70.550	ml/mol	McGowan Calculated Property
Pc	4795.85	kPa	Joback Calculated Property
Inp	749.00		NIST
Tboil	406.40	K	Relay (1.0) Calculated Property
Tc	593.92	K	Relay (1.0) Calculated Property
Tfus	308.06	K	Relay (1.0) Calculated Property
Vc	0.248	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	[105.83; 218.18]	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			3.20610e+01
Coefficient B			2.95920e-01
Coefficient C			-8.82000e-05
Coefficient D			-2.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	105.83	J/mol×K	273.00	Calculated Property
Cp,gas	124.76	J/mol×K	353.78	Calculated Property
Cp,gas	142.23	J/mol×K	434.56	Calculated Property
Cp,gas	158.18	J/mol×K	515.33	Calculated Property
Cp,gas	172.54	J/mol×K	596.11	Calculated Property
Cp,gas	185.26	J/mol×K	676.89	Calculated Property
Cp,gas	196.24	J/mol×K	757.67	Calculated Property
Cp,gas	205.44	J/mol×K	838.44	Calculated Property
Cp,gas	212.77	J/mol×K	919.22	Calculated Property
Cp,gas	218.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glycine, methyl ester.

Sources

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

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