Chemical Properties of l-Leucine, N-benzyloxycarbonyl-N-methyl-, propyl ester

InChI

InChI=1S/C18H27NO4/c1-5-11-22-17(20)16(12-14(2)3)19(4)18(21)23-13-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3

InChI Key

CJXDJBLTLCKPTQ-UHFFFAOYSA-N

Formula

C18H27NO4

SMILES

CCCOC(=O)C(CC(C)C)N(C)C(=O)OCc1ccccc1

Molecular Weight¹

321.41

• 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	0.7892		Relay (1.0) Calculated Property
ΔfG°	-148.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-719.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.97	kJ/mol	Joback Calculated Property
ΔvapH°	93.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	3.623		Crippen Calculated Property
McVol	265.580	ml/mol	McGowan Calculated Property
Pc	1588.54	kPa	Joback Calculated Property
Inp	[2118.00; 2118.00]
Inp	2118.00		NIST
Inp	2118.00		NIST
Tboil	614.85	K	Relay (1.0) Calculated Property
Tc	814.78	K	Relay (1.0) Calculated Property
Tfus	271.09	K	Relay (1.0) Calculated Property
Vc	0.955	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[804.62; 885.01]	J/mol×K	[802.06; 1004.66]
Cp,gas	804.62	J/mol×K	802.06	Joback Calculated Property
Cp,gas	820.78	J/mol×K	835.83	Joback Calculated Property
Cp,gas	835.79	J/mol×K	869.59	Joback Calculated Property
Cp,gas	849.68	J/mol×K	903.36	Joback Calculated Property
Cp,gas	862.50	J/mol×K	937.13	Joback Calculated Property
Cp,gas	874.26	J/mol×K	970.90	Joback Calculated Property
Cp,gas	885.01	J/mol×K	1004.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-benzyloxycarbonyl-N-methyl-, propyl ester.

Sources

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

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