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

InChI

InChI=1S/C21H33NO4/c1-16(2)10-9-13-25-20(23)19(14-17(3)4)22(5)21(24)26-15-18-11-7-6-8-12-18/h6-8,11-12,16-17,19H,9-10,13-15H2,1-5H3

InChI Key

CXFHWECVKHOBHH-UHFFFAOYSA-N

Formula

C21H33NO4

SMILES

CC(C)CCCOC(=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°	-126.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-678.15	kJ/mol	Joback Calculated Property
ΔfusH°	42.21	kJ/mol	Joback Calculated Property
ΔvapH°	83.81	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.649		Crippen Calculated Property
McVol	307.850	ml/mol	McGowan Calculated Property
Pc	1285.59	kPa	Joback Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Tboil	870.26	K	Joback Calculated Property
Tc	1075.29	K	Joback Calculated Property
Tfus	484.64	K	Joback Calculated Property
Vc	1.151	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[982.01; 1064.11]	J/mol×K	[870.26; 1075.29]
Cp,gas	982.01	J/mol×K	870.26	Joback Calculated Property
Cp,gas	998.74	J/mol×K	904.43	Joback Calculated Property
Cp,gas	1014.19	J/mol×K	938.60	Joback Calculated Property
Cp,gas	1028.42	J/mol×K	972.78	Joback Calculated Property
Cp,gas	1041.45	J/mol×K	1006.95	Joback Calculated Property
Cp,gas	1053.34	J/mol×K	1041.12	Joback Calculated Property
Cp,gas	1064.11	J/mol×K	1075.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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