Chemical Properties of Glycine, N-benzoyl, propyl ester

InChI

InChI=1S/C12H15NO3/c1-2-8-16-11(14)9-13-12(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)

InChI Key

LIOAQKDCMGPKGK-UHFFFAOYSA-N

Formula

C12H15NO3

SMILES

CCCOC(=O)CN=C(O)c1ccccc1

Molecular Weight¹

221.25

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-379.08	kJ/mol	Joback Calculated Property
ΔvapH°	73.81	kJ/mol	Joback Calculated Property
log10WS	-1.90		Crippen Calculated Property
logPoct/wat	1.944		Crippen Calculated Property
McVol	175.170	ml/mol	McGowan Calculated Property
Pc	2497.50	kPa	Joback Calculated Property
Inp	[1764.00; 1764.00]
Inp	1764.00		NIST
Inp	1764.00		NIST
Tboil	745.67	K	Joback Calculated Property
Tc	955.26	K	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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