Chemical Properties of L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, octadecyl ester

InChI

InChI=1S/C30H55NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-34-29(32)28(26-27(3)4)31(5)30(33)35-24-9-7-2/h2,27-28H,6,8-26H2,1,3-5H3/t28-/m1/s1

InChI Key

JKGBFCJMPUNNNN-MUUNZHRXSA-N

Formula

C30H55NO4

SMILES

C#CCCOC(=O)N(C)C(CC(C)C)C(=O)OCCCCCCCCCCCCCCCCCC

Molecular Weight¹

493.76

• 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).
• 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
ΔfG°	62.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-803.26	kJ/mol	Joback Calculated Property
ΔfusH°	77.98	kJ/mol	Joback Calculated Property
ΔvapH°	101.81	kJ/mol	Joback Calculated Property
log10WS	-9.32		Crippen Calculated Property
logPoct/wat	8.297		Crippen Calculated Property
McVol	449.820	ml/mol	McGowan Calculated Property
Pc	676.76	kPa	Joback Calculated Property
Inp	[3128.00; 3128.00]
Inp	3128.00		NIST
Inp	3128.00		NIST
Tboil	1040.06	K	Joback Calculated Property
Tc	1294.62	K	Joback Calculated Property
Tfus	621.62	K	Joback Calculated Property
Vc	1.732	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1586.72; 1692.62]	J/mol×K	[1040.06; 1294.62]
Cp,gas	1586.72	J/mol×K	1040.06	Joback Calculated Property
Cp,gas	1609.15	J/mol×K	1082.49	Joback Calculated Property
Cp,gas	1629.50	J/mol×K	1124.91	Joback Calculated Property
Cp,gas	1647.90	J/mol×K	1167.34	Joback Calculated Property
Cp,gas	1664.47	J/mol×K	1209.76	Joback Calculated Property
Cp,gas	1679.34	J/mol×K	1252.19	Joback Calculated Property
Cp,gas	1692.62	J/mol×K	1294.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, octadecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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