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

InChI

InChI=1S/C34H67NO4/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28-38-33(36)32(30-31(3)4)35(5)34(37)39-29-26-11-9-7-2/h31-32H,6-30H2,1-5H3/t32-/m1/s1

InChI Key

NPWFJRXQVYSMDY-JGCGQSQUSA-N

Formula

C34H67NO4

SMILES

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

Molecular Weight¹

553.90

• 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	1.4625		Relay (1.0) Calculated Property
ΔfG°	-126.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1309.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	85.37	kJ/mol	Joback Calculated Property
ΔvapH°	151.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-9.10		Relay (1.0) Calculated Property
logPoct/wat	10.635		Crippen Calculated Property
McVol	514.780	ml/mol	McGowan Calculated Property
Pc	522.21	kPa	Joback Calculated Property
Inp	[3500.00; 3500.00]
Inp	3500.00		NIST
Inp	3500.00		NIST
Tboil	705.36	K	Relay (1.0) Calculated Property
Tc	886.08	K	Relay (1.0) Calculated Property
Tfus	302.44	K	Relay (1.0) Calculated Property
Vc	1.956	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1915.07; 2029.38]	J/mol×K	[1141.46; 1485.32]
Cp,gas	1915.07	J/mol×K	1141.46	Joback Calculated Property
Cp,gas	1942.82	J/mol×K	1198.77	Joback Calculated Property
Cp,gas	1966.64	J/mol×K	1256.08	Joback Calculated Property
Cp,gas	1986.86	J/mol×K	1313.39	Joback Calculated Property
Cp,gas	2003.83	J/mol×K	1370.70	Joback Calculated Property
Cp,gas	2017.89	J/mol×K	1428.01	Joback Calculated Property
Cp,gas	2029.38	J/mol×K	1485.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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