Chemical Properties of L-Ile, N-ethoxycarbonyl, (S)-1-phenylethylamide

InChI

InChI=1S/C17H26N2O3/c1-5-12(3)15(19-17(21)22-6-2)16(20)18-13(4)14-10-8-7-9-11-14/h7-13,15H,5-6H2,1-4H3,(H,18,20)(H,19,21)/t12-,13-,15-/m0/s1

InChI Key

GDBUWMVLQLZXQU-YDHLFZDLSA-N

Formula

C17H26N2O3

SMILES

CCOC(=O)NC(C(=O)NC(C)c1ccccc1)C(C)CC

Molecular Weight¹

306.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[792.80; 865.34]	J/mol×K	[844.22; 1056.09]
Cp,gas	792.80	J/mol×K	844.22	Joback Calculated Property
Cp,gas	807.62	J/mol×K	879.53	Joback Calculated Property
Cp,gas	821.28	J/mol×K	914.84	Joback Calculated Property
Cp,gas	833.85	J/mol×K	950.16	Joback Calculated Property
Cp,gas	845.35	J/mol×K	985.47	Joback Calculated Property
Cp,gas	855.83	J/mol×K	1020.78	Joback Calculated Property
Cp,gas	865.34	J/mol×K	1056.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Ile, N-ethoxycarbonyl, (S)-1-phenylethylamide.

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
• Joback Method
• McGowan Method
• NIST Webbook

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