Chemical Properties of L-Leucine, N-methyl-N-(octyloxycarbonyl)-, tridecyl ester

InChI

InChI=1S/C29H57NO4/c1-6-8-10-12-14-15-16-17-18-20-21-23-33-28(31)27(25-26(3)4)30(5)29(32)34-24-22-19-13-11-9-7-2/h26-27H,6-25H2,1-5H3/t27-/m1/s1

InChI Key

RJJUDYDLHGWENL-HHHXNRCGSA-N

Formula

C29H57NO4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCCCCCCC

Molecular Weight¹

483.77

• 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	1.2870		Relay (1.0) Calculated Property
ΔfG°	-168.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1208.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.41	kJ/mol	Joback Calculated Property
ΔvapH°	131.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-7.57		Relay (1.0) Calculated Property
logPoct/wat	8.684		Crippen Calculated Property
McVol	444.330	ml/mol	McGowan Calculated Property
Pc	658.81	kPa	Joback Calculated Property
Inp	[3620.00; 3620.00]
Inp	3620.00		NIST
Inp	3620.00		NIST
Tboil	673.13	K	Relay (1.0) Calculated Property
Tc	855.17	K	Relay (1.0) Calculated Property
Tfus	289.60	K	Relay (1.0) Calculated Property
Vc	1.683	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1585.71; 1693.49]	J/mol×K	[1027.06; 1282.05]
Cp,gas	1585.71	J/mol×K	1027.06	Joback Calculated Property
Cp,gas	1609.03	J/mol×K	1069.56	Joback Calculated Property
Cp,gas	1630.06	J/mol×K	1112.06	Joback Calculated Property
Cp,gas	1648.91	J/mol×K	1154.56	Joback Calculated Property
Cp,gas	1665.69	J/mol×K	1197.05	Joback Calculated Property
Cp,gas	1680.51	J/mol×K	1239.55	Joback Calculated Property
Cp,gas	1693.49	J/mol×K	1282.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(octyloxycarbonyl)-, tridecyl ester.

Sources

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

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