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

InChI

InChI=1S/C32H63NO4/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-26-36-31(34)30(28-29(3)4)33(5)32(35)37-27-24-11-9-7-2/h29-30H,6-28H2,1-5H3/t30-/m1/s1

InChI Key

KMINJWHDXNPOQF-SSEXGKCCSA-N

Formula

C32H63NO4

SMILES

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

Molecular Weight¹

525.85

• 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	1.3923		Relay (1.0) Calculated Property
ΔfG°	-143.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1269.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	80.19	kJ/mol	Joback Calculated Property
ΔvapH°	143.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-8.49		Relay (1.0) Calculated Property
logPoct/wat	9.854		Crippen Calculated Property
McVol	486.600	ml/mol	McGowan Calculated Property
Pc	571.24	kPa	Joback Calculated Property
Inp	[3301.00; 3301.00]
Inp	3301.00		NIST
Inp	3301.00		NIST
Tboil	692.44	K	Relay (1.0) Calculated Property
Tc	873.96	K	Relay (1.0) Calculated Property
Tfus	297.36	K	Relay (1.0) Calculated Property
Vc	1.847	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1782.81; 1894.71]	J/mol×K	[1095.70; 1398.14]
Cp,gas	1782.81	J/mol×K	1095.70	Joback Calculated Property
Cp,gas	1808.62	J/mol×K	1146.11	Joback Calculated Property
Cp,gas	1831.28	J/mol×K	1196.51	Joback Calculated Property
Cp,gas	1851.00	J/mol×K	1246.92	Joback Calculated Property
Cp,gas	1868.01	J/mol×K	1297.33	Joback Calculated Property
Cp,gas	1882.51	J/mol×K	1347.74	Joback Calculated Property
Cp,gas	1894.71	J/mol×K	1398.14	Joback Calculated Property

Similar Compounds

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

Sources

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

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