Chemical Properties of L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, decyl ester

InChI

InChI=1S/C27H45NO5/c1-5-6-7-8-9-10-11-15-18-32-26(29)25(21-23(2)3)28(4)27(30)33-20-19-31-22-24-16-13-12-14-17-24/h12-14,16-17,23,25H,5-11,15,18-22H2,1-4H3/t25-/m1/s1

InChI Key

MEHHRXQBYNFBNU-RUZDIDTESA-N

Formula

C27H45NO5

SMILES

CCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

463.65

• 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°	-178.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.93	kJ/mol	Joback Calculated Property
ΔfusH°	62.46	kJ/mol	Joback Calculated Property
ΔvapH°	99.96	kJ/mol	Joback Calculated Property
log10WS	-6.95		Crippen Calculated Property
logPoct/wat	6.370		Crippen Calculated Property
McVol	398.260	ml/mol	McGowan Calculated Property
Pc	870.16	kPa	Joback Calculated Property
Inp	[3005.00; 3005.00]
Inp	3005.00		NIST
Inp	3005.00		NIST
Tboil	1030.40	K	Joback Calculated Property
Tc	1265.53	K	Joback Calculated Property
Tfus	589.49	K	Joback Calculated Property
Vc	1.512	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1380.97; 1456.19]	J/mol×K	[1030.40; 1265.53]
Cp,gas	1380.97	J/mol×K	1030.40	Joback Calculated Property
Cp,gas	1398.02	J/mol×K	1069.59	Joback Calculated Property
Cp,gas	1413.17	J/mol×K	1108.78	Joback Calculated Property
Cp,gas	1426.49	J/mol×K	1147.96	Joback Calculated Property
Cp,gas	1438.06	J/mol×K	1187.15	Joback Calculated Property
Cp,gas	1447.93	J/mol×K	1226.34	Joback Calculated Property
Cp,gas	1456.19	J/mol×K	1265.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, decyl ester.

Sources

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

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