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

InChI

InChI=1S/C21H33NO4/c1-5-6-7-11-14-25-20(23)19(15-17(2)3)22(4)21(24)26-16-18-12-9-8-10-13-18/h8-10,12-13,17,19H,5-7,11,14-16H2,1-4H3

InChI Key

DIWVROZPZOBSPP-UHFFFAOYSA-N

Formula

C21H33NO4

SMILES

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

Molecular Weight¹

363.49

• 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°	-123.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-672.87	kJ/mol	Joback Calculated Property
ΔfusH°	45.74	kJ/mol	Joback Calculated Property
ΔvapH°	84.19	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen Calculated Property
logPoct/wat	4.793		Crippen Calculated Property
McVol	307.850	ml/mol	McGowan Calculated Property
Pc	1278.25	kPa	Joback Calculated Property
Inp	[2388.00; 2388.00]
Inp	2388.00		NIST
Inp	2388.00		NIST
Tboil	870.70	K	Joback Calculated Property
Tc	1074.23	K	Joback Calculated Property
Tfus	499.64	K	Joback Calculated Property
Vc	1.157	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[981.52; 1063.43]	J/mol×K	[870.70; 1074.23]
Cp,gas	981.52	J/mol×K	870.70	Joback Calculated Property
Cp,gas	998.14	J/mol×K	904.62	Joback Calculated Property
Cp,gas	1013.53	J/mol×K	938.54	Joback Calculated Property
Cp,gas	1027.70	J/mol×K	972.47	Joback Calculated Property
Cp,gas	1040.72	J/mol×K	1006.39	Joback Calculated Property
Cp,gas	1052.62	J/mol×K	1040.31	Joback Calculated Property
Cp,gas	1063.43	J/mol×K	1074.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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