Chemical Properties of l-Leucine, N-isobutoxycarbonyl-N-methyl-, heptadecyl ester

InChI

InChI=1S/C29H57NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-28(31)27(23-25(2)3)30(6)29(32)34-24-26(4)5/h25-27H,7-24H2,1-6H3

InChI Key

PVKMCCGPFKKHPT-UHFFFAOYSA-N

Formula

C29H57NO4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCC(C)C

Molecular Weight¹

483.77

• 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°	-171.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1079.80	kJ/mol	Joback Calculated Property
ΔfusH°	68.89	kJ/mol	Joback Calculated Property
ΔvapH°	99.34	kJ/mol	Joback Calculated Property
log10WS	-8.86		Crippen Calculated Property
logPoct/wat	8.540		Crippen Calculated Property
McVol	444.330	ml/mol	McGowan Calculated Property
Pc	661.53	kPa	Joback Calculated Property
Inp	[3197.00; 3197.00]
Inp	3197.00		NIST
Inp	3197.00		NIST
Tboil	1026.62	K	Joback Calculated Property
Tc	1278.67	K	Joback Calculated Property
Tfus	548.38	K	Joback Calculated Property
Vc	1.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1585.94; 1692.13]	J/mol×K	[1026.62; 1278.67]
Cp,gas	1585.94	J/mol×K	1026.62	Joback Calculated Property
Cp,gas	1608.93	J/mol×K	1068.63	Joback Calculated Property
Cp,gas	1629.66	J/mol×K	1110.64	Joback Calculated Property
Cp,gas	1648.23	J/mol×K	1152.64	Joback Calculated Property
Cp,gas	1664.77	J/mol×K	1194.65	Joback Calculated Property
Cp,gas	1679.36	J/mol×K	1236.66	Joback Calculated Property
Cp,gas	1692.13	J/mol×K	1278.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-isobutoxycarbonyl-N-methyl-, heptadecyl ester.

Sources

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

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