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

InChI

InChI=1S/C30H59NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34-28(32)27(24-26(2)3)31(7)29(33)35-25-30(4,5)6/h26-27H,8-25H2,1-7H3

InChI Key

IFBBUSKNSJPIML-UHFFFAOYSA-N

Formula

C30H59NO4

SMILES

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

Molecular Weight¹

497.79

• 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°	-157.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1103.91	kJ/mol	Joback Calculated Property
ΔfusH°	67.59	kJ/mol	Joback Calculated Property
ΔvapH°	100.66	kJ/mol	Joback Calculated Property
log10WS	-9.28		Crippen Calculated Property
logPoct/wat	8.930		Crippen Calculated Property
McVol	458.420	ml/mol	McGowan Calculated Property
Pc	633.52	kPa	Joback Calculated Property
Inp	[3261.00; 3261.00]
Inp	3261.00		NIST
Inp	3261.00		NIST
Tboil	1046.71	K	Joback Calculated Property
Tc	1305.41	K	Joback Calculated Property
Tfus	577.07	K	Joback Calculated Property
Vc	1.758	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1650.83; 1763.73]	J/mol×K	[1046.71; 1305.41]
Cp,gas	1650.83	J/mol×K	1046.71	Joback Calculated Property
Cp,gas	1674.45	J/mol×K	1089.83	Joback Calculated Property
Cp,gas	1695.93	J/mol×K	1132.94	Joback Calculated Property
Cp,gas	1715.44	J/mol×K	1176.06	Joback Calculated Property
Cp,gas	1733.14	J/mol×K	1219.18	Joback Calculated Property
Cp,gas	1749.19	J/mol×K	1262.29	Joback Calculated Property
Cp,gas	1763.73	J/mol×K	1305.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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