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

InChI

InChI=1S/C16H24N2O3/c1-4-9-14(18-16(20)21-5-2)15(19)17-12(3)13-10-7-6-8-11-13/h6-8,10-12,14H,4-5,9H2,1-3H3,(H,17,19)(H,18,20)/t12-,14+/m0/s1

InChI Key

ZNDAJFRHIWRDFF-GXTWGEPZSA-N

Formula

C16H24N2O3

SMILES

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

Molecular Weight¹

292.37

• 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°	7.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.04	kJ/mol	Joback Calculated Property
ΔfusH°	38.77	kJ/mol	Joback Calculated Property
ΔvapH°	81.48	kJ/mol	Joback Calculated Property
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	2.779		Crippen Calculated Property
McVol	241.510	ml/mol	McGowan Calculated Property
Pc	1937.24	kPa	Joback Calculated Property
Inp	[2132.00; 2132.00]
Inp	2132.00		NIST
Inp	2132.00		NIST
Tboil	821.78	K	Joback Calculated Property
Tc	1032.15	K	Joback Calculated Property
Tfus	493.91	K	Joback Calculated Property
Vc	0.911	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.00; 806.25]	J/mol×K	[821.78; 1032.15]
Cp,gas	735.00	J/mol×K	821.78	Joback Calculated Property
Cp,gas	749.47	J/mol×K	856.84	Joback Calculated Property
Cp,gas	762.84	J/mol×K	891.90	Joback Calculated Property
Cp,gas	775.17	J/mol×K	926.96	Joback Calculated Property
Cp,gas	786.49	J/mol×K	962.02	Joback Calculated Property
Cp,gas	796.84	J/mol×K	997.09	Joback Calculated Property
Cp,gas	806.25	J/mol×K	1032.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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