Chemical Properties of [(Pyridine-2-carbonyl)-amino]-acetic acid methyl ester

InChI

InChI=1S/C9H10N2O3/c1-14-8(12)6-11-9(13)7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,11,13)

InChI Key

RDSZQUGSUWGLQI-UHFFFAOYSA-N

Formula

C9H10N2O3

SMILES

COC(=O)CNC(=O)c1ccccn1

Molecular Weight¹

194.19

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.6009		Relay (1.0) Calculated Property
ΔfG°	-108.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-358.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	82.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-1.31		Relay (1.0) Calculated Property
logPoct/wat	-0.016		Crippen Calculated Property
McVol	142.880	ml/mol	McGowan Calculated Property
Pc	3488.48	kPa	Relay (1.0-beta) Calculated Property
Inp	[1634.00; 1634.00]
Inp	1634.00		NIST
Inp	1634.00		NIST
Tboil	579.72	K	Relay (1.0) Calculated Property
Tc	805.50	K	Relay (1.0) Calculated Property
Tfus	376.69	K	Relay (1.0) Calculated Property
Vc	0.519	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to [(Pyridine-2-carbonyl)-amino]-acetic acid methyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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