Chemical Properties of Glycine, N-(1-oxopropyl)-, methyl ester (CAS 4396-63-8)

InChI

InChI=1S/C6H11NO3/c1-3-5(8)7-4-6(9)10-2/h3-4H2,1-2H3,(H,7,8)

InChI Key

QZXTYJDHWPMJLY-UHFFFAOYSA-N

Formula

C6H11NO3

SMILES

CCC(O)=NCC(=O)OC

Molecular Weight¹

145.16

CAS

4396-63-8

Other Names

• Propionylglycine, methyl ester
• N-Propionylglycine methyl ester

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation 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	0.6782		Relay (1.0) Calculated Property
ΔfH°gas	-576.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-0.37		Relay (1.0) Calculated Property
logPoct/wat	0.526		Crippen Calculated Property
McVol	114.390	ml/mol	McGowan Calculated Property
Pc	3096.73	kPa	Joback Calculated Property
Inp	[1171.00; 1171.00]
Inp	1171.00		NIST
Inp	1171.00		NIST
Tboil	530.17	K	Relay (1.0) Calculated Property
Tc	690.57	K	Relay (1.0) Calculated Property
Tfus	329.82	K	Relay (1.0) Calculated Property
Vc	0.432	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.

Similar Compounds

Find more compounds similar to Glycine, N-(1-oxopropyl)-, methyl ester.

Sources

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

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