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

InChI

InChI=1S/C20H31NO4/c1-5-6-10-13-24-19(22)18(14-16(2)3)21(4)20(23)25-15-17-11-8-7-9-12-17/h7-9,11-12,16,18H,5-6,10,13-15H2,1-4H3

InChI Key

CCVPWMKBKLCZHY-UHFFFAOYSA-N

Formula

C20H31NO4

SMILES

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

Molecular Weight¹

349.46

• 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°	43.15	kJ/mol	Joback Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	4.403		Crippen Calculated Property
McVol	293.760	ml/mol	McGowan Calculated Property
Pc	1370.73	kPa	Joback Calculated Property
Inp	[2295.00; 2295.00]
Inp	2295.00		NIST
Inp	2295.00		NIST
Tboil	627.88	K	Relay (1.0) Calculated Property
Tfus	270.02	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	[921.80; 1003.28]	J/mol×K	[847.82; 1050.34]
Cp,gas	921.80	J/mol×K	847.82	Joback Calculated Property
Cp,gas	938.27	J/mol×K	881.57	Joback Calculated Property
Cp,gas	953.54	J/mol×K	915.33	Joback Calculated Property
Cp,gas	967.63	J/mol×K	949.08	Joback Calculated Property
Cp,gas	980.60	J/mol×K	982.84	Joback Calculated Property
Cp,gas	992.47	J/mol×K	1016.59	Joback Calculated Property
Cp,gas	1003.28	J/mol×K	1050.34	Joback Calculated Property

Similar Compounds

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