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

• ω : Acentric Factor.
• 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	0.8143		Relay (1.0) Calculated Property
ΔvapH°	97.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Relay (1.0) 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	606.76	K	Relay (1.0) Calculated Property
Tc	801.01	K	Relay (1.0) Calculated Property
Tfus	363.36	K	Relay (1.0) Calculated Property
Vc	0.629	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.