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

363.50

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.74	kJ/mol	Joback Calculated Property
log10WS	-4.52		Relay (1.0) 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	635.78	K	Relay (1.0) Calculated Property
Tfus	270.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.