Chemical Properties of Ethyl 3-(benzyl-acetamino)propanoate

InChI

InChI=1S/C14H19NO3/c1-3-18-14(17)9-10-15(12(2)16)11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3

InChI Key

QCNIWBXYUVRCTE-UHFFFAOYSA-N

Formula

C14H19NO3

SMILES

CCOC(=O)CCN(Cc1ccccc1)C(C)=O

Molecular Weight¹

249.31

Other Names

• Alanine, N-(phenylmethyl)-N-acetyl, ethyl ester
• 3-Benzyl-acetaminopropionic acid ethyl ester
• N-Benzyl-N-acetyl-3-aminopropionic acid, Ethyl ester
• Ethyl 3-(acetyl-benzyl-amino)propanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6655		Relay (1.0) Calculated Property
ΔfusH°	35.05	kJ/mol	Joback Calculated Property
ΔvapH°	88.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-1.55		Relay (1.0) Calculated Property
logPoct/wat	1.988		Crippen Calculated Property
McVol	203.350	ml/mol	McGowan Calculated Property
Pc	2133.46	kPa	Joback Calculated Property
Inp	[2016.00; 2016.00]
Inp	2016.00		NIST
Inp	2016.00		NIST
Tboil	610.05	K	Relay (1.0) Calculated Property
Tc	799.50	K	Relay (1.0) Calculated Property
Tfus	308.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[548.09; 625.65]	J/mol×K	[671.13; 873.61]
Cp,gas	548.09	J/mol×K	671.13	Joback Calculated Property
Cp,gas	563.44	J/mol×K	704.88	Joback Calculated Property
Cp,gas	577.78	J/mol×K	738.62	Joback Calculated Property
Cp,gas	591.13	J/mol×K	772.37	Joback Calculated Property
Cp,gas	603.54	J/mol×K	806.11	Joback Calculated Property
Cp,gas	615.03	J/mol×K	839.86	Joback Calculated Property
Cp,gas	625.65	J/mol×K	873.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-(benzyl-acetamino)propanoate.

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.
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