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

InChI

InChI=1S/C30H59NO4/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-24-34-29(32)28(26-27(3)4)31(5)30(33)35-25-22-11-9-7-2/h27-28H,6-26H2,1-5H3/t28-/m1/s1

InChI Key

RXROVURRSRBFDY-MUUNZHRXSA-N

Formula

C30H59NO4

SMILES

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

Molecular Weight¹

497.79

• 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	1.3221		Relay (1.0) Calculated Property
ΔfG°	-160.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1228.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.00	kJ/mol	Joback Calculated Property
ΔvapH°	135.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-7.88		Relay (1.0) Calculated Property
logPoct/wat	9.074		Crippen Calculated Property
McVol	458.420	ml/mol	McGowan Calculated Property
Pc	627.51	kPa	Joback Calculated Property
Inp	[3099.00; 3099.00]
Inp	3099.00		NIST
Inp	3099.00		NIST
Tboil	679.46	K	Relay (1.0) Calculated Property
Tc	861.65	K	Relay (1.0) Calculated Property
Tfus	291.91	K	Relay (1.0) Calculated Property
Vc	1.737	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1651.20; 1760.41]	J/mol×K	[1049.94; 1319.00]
Cp,gas	1651.20	J/mol×K	1049.94	Joback Calculated Property
Cp,gas	1675.29	J/mol×K	1094.78	Joback Calculated Property
Cp,gas	1696.85	J/mol×K	1139.63	Joback Calculated Property
Cp,gas	1716.00	J/mol×K	1184.47	Joback Calculated Property
Cp,gas	1732.89	J/mol×K	1229.31	Joback Calculated Property
Cp,gas	1747.65	J/mol×K	1274.16	Joback Calculated Property
Cp,gas	1760.41	J/mol×K	1319.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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