Chemical Properties of D-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-/m1/s1

InChI Key

GDBUWMVLQLZXQU-VNHYZAJKSA-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_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).
• 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
ΔfG°	13.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.96	kJ/mol	Joback Calculated Property
ΔfusH°	37.84	kJ/mol	Joback Calculated Property
ΔvapH°	83.32	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	3.025		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1795.46	kPa	Joback Calculated Property
Inp	[2170.00; 2170.00]
Inp	2170.00		NIST
Inp	2170.00		NIST
Tboil	844.22	K	Joback Calculated Property
Tc	1056.09	K	Joback Calculated Property
Tfus	490.18	K	Joback Calculated Property
Vc	0.962	m3/kmol	Joback Calculated Property

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 D-Ile, N-ethoxycarbonyl, (S)-1-phenylethylamide.

Sources

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

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