Chemical Properties of Glycine, N-benzoyl-, methyl ester

InChI

InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)

InChI Key

XTKVNQKOTKPCKM-UHFFFAOYSA-N

Formula

C10H11NO3

SMILES

COC(=O)CNC(=O)c1ccccc1

Molecular Weight¹

193.20

Other Names

• Methyl hippurate
• Methyl N-benzoylglycinate
• N-Benzoylglycine methyl ester
• Methyl ester of hippuric acid
• Methyl (benzoylamino)acetate
• Benzoylamino-acetic acid methyl ester

• 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_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	0.5861		Relay (1.0) Calculated Property
ΔfG°	-204.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-421.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.76	kJ/mol	Joback Calculated Property
ΔvapH°	84.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	0.589		Crippen Calculated Property
McVol	146.990	ml/mol	McGowan Calculated Property
Pc	3206.41	kPa	Joback Calculated Property
Inp	[1646.00; 1722.20]
Inp	1646.00		NIST
Inp	1715.40		NIST
Inp	1720.80		NIST
Inp	1722.20		NIST
Inp	1650.00		NIST
Inp	1650.00		NIST
Inp	1675.00		NIST
Inp	1675.00		NIST
Tboil	572.46	K	Relay (1.0) Calculated Property
Tc	791.81	K	Relay (1.0) Calculated Property
Tfus	345.72	K	Relay (1.0) Calculated Property
Vc	0.528	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.81; 450.73]	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			-8.54900e+00
Coefficient B			8.68320e-01
Coefficient C			-4.86700e-04
Coefficient D			7.76600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.81	J/mol×K	273.00	Calculated Property
Cp,gas	241.17	J/mol×K	353.78	Calculated Property
Cp,gas	283.25	J/mol×K	434.56	Calculated Property
Cp,gas	320.30	J/mol×K	515.33	Calculated Property
Cp,gas	352.57	J/mol×K	596.11	Calculated Property
Cp,gas	380.30	J/mol×K	676.89	Calculated Property
Cp,gas	403.73	J/mol×K	757.67	Calculated Property
Cp,gas	423.12	J/mol×K	838.44	Calculated Property
Cp,gas	438.70	J/mol×K	919.22	Calculated Property
Cp,gas	450.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-benzoyl-, methyl ester.

Sources

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

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