Chemical Properties of D-Norleu, N-ethoxycarbonyl, (S)-1-phenylethylamide

InChI

InChI=1S/C17H26N2O3/c1-4-6-12-15(19-17(21)22-5-2)16(20)18-13(3)14-10-8-7-9-11-14/h7-11,13,15H,4-6,12H2,1-3H3,(H,18,20)(H,19,21)/t13-,15+/m1/s1

InChI Key

CRTCXZPKJPQVGP-HIFRSBDPSA-N

Formula

C17H26N2O3

SMILES

CCCCC(NC(=O)OCC)C(=O)NC(C)c1ccccc1

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°	15.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-418.68	kJ/mol	Joback Calculated Property
ΔfusH°	41.36	kJ/mol	Joback Calculated Property
ΔvapH°	83.71	kJ/mol	Joback Calculated Property
log10WS	-4.61		Crippen Calculated Property
logPoct/wat	3.169		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1783.35	kPa	Joback Calculated Property
Inp	[2231.00; 2231.00]
Inp	2231.00		NIST
Inp	2231.00		NIST
Tboil	844.66	K	Joback Calculated Property
Tc	1054.17	K	Joback Calculated Property
Tfus	505.18	K	Joback Calculated Property
Vc	0.968	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.26; 864.43]	J/mol×K	[844.66; 1054.17]
Cp,gas	792.26	J/mol×K	844.66	Joback Calculated Property
Cp,gas	806.93	J/mol×K	879.58	Joback Calculated Property
Cp,gas	820.48	J/mol×K	914.50	Joback Calculated Property
Cp,gas	832.97	J/mol×K	949.41	Joback Calculated Property
Cp,gas	844.43	J/mol×K	984.33	Joback Calculated Property
Cp,gas	854.90	J/mol×K	1019.25	Joback Calculated Property
Cp,gas	864.43	J/mol×K	1054.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Norleu, N-ethoxycarbonyl, (S)-1-phenylethylamide.

Sources

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

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