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

InChI

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

InChI Key

GPURSIJORGNZPY-JSGCOSHPSA-N

Formula

C16H24N2O3

SMILES

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

Molecular Weight¹

292.37

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6971		Relay (... Calculated Property
ΔfG°	4.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-590.79	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.25	kJ/mol	Joback Calculated Property
ΔvapH°	103.20	kJ/mol	Relay (... Calculated Property
IE	8.51	eV	Relay (... Calculated Property
log10WS	-3.24		Relay (... Calculated Property
logPoct/wat	2.634		Crippen Calculated Property
McVol	241.510	ml/mol	McGowan Calculated Property
Pc	1950.95	kPa	Joback Calculated Property
Inp	[2111.00; 2111.00]
Inp	2111.00		NIST
Inp	2111.00		NIST
Tboil	576.02	K	Relay (... Calculated Property
Tc	847.11	K	Relay (... Calculated Property
Tfus	395.89	K	Relay (... Calculated Property
Vc	0.841	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.56; 807.29]	J/mol×K	[821.34; 1034.39]
Cp,gas	735.56	J/mol×K	821.34	Joback Calculated Property
Cp,gas	750.20	J/mol×K	856.85	Joback Calculated Property
Cp,gas	763.71	J/mol×K	892.36	Joback Calculated Property
Cp,gas	776.13	J/mol×K	927.86	Joback Calculated Property
Cp,gas	787.51	J/mol×K	963.37	Joback Calculated Property
Cp,gas	797.88	J/mol×K	998.88	Joback Calculated Property
Cp,gas	807.29	J/mol×K	1034.39	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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