Chemical Properties of L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, undecyl ester

InChI

InChI=1S/C25H49NO4/c1-6-8-10-12-13-14-15-16-18-19-29-24(27)23(21-22(3)4)26(5)25(28)30-20-17-11-9-7-2/h22-23H,6-21H2,1-5H3/t23-/m1/s1

InChI Key

AIDHHLVGXWVTEU-HSZRJFAPSA-N

Formula

C25H49NO4

SMILES

CCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCCCCC

Molecular Weight¹

427.66

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1463		Relay (1.0) Calculated Property
ΔfG°	-202.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1129.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.05	kJ/mol	Joback Calculated Property
ΔvapH°	116.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-6.29		Relay (1.0) Calculated Property
logPoct/wat	7.124		Crippen Calculated Property
McVol	387.970	ml/mol	McGowan Calculated Property
Pc	810.76	kPa	Joback Calculated Property
Inp	[2607.00; 2607.00]
Inp	2607.00		NIST
Inp	2607.00		NIST
Tboil	646.27	K	Relay (1.0) Calculated Property
Tc	827.74	K	Relay (1.0) Calculated Property
Tfus	273.06	K	Relay (1.0) Calculated Property
Vc	1.462	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1326.77; 1428.60]	J/mol×K	[935.54; 1148.84]
Cp,gas	1326.77	J/mol×K	935.54	Joback Calculated Property
Cp,gas	1347.53	J/mol×K	971.09	Joback Calculated Property
Cp,gas	1366.71	J/mol×K	1006.64	Joback Calculated Property
Cp,gas	1384.35	J/mol×K	1042.19	Joback Calculated Property
Cp,gas	1400.51	J/mol×K	1077.74	Joback Calculated Property
Cp,gas	1415.24	J/mol×K	1113.29	Joback Calculated Property
Cp,gas	1428.60	J/mol×K	1148.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, undecyl ester.

Sources

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

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