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

InChI

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

InChI Key

PVWQLUUOXRDJGW-UHFFFAOYSA-N

Formula

C29H57NO4

SMILES

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

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	1.2358		Relay (1.0) Calculated Property
ΔfG°	-165.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1233.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.00	kJ/mol	Joback Calculated Property
ΔvapH°	127.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-7.81		Relay (1.0) Calculated Property
logPoct/wat	8.540		Crippen Calculated Property
McVol	444.330	ml/mol	McGowan Calculated Property
Pc	665.29	kPa	Joback Calculated Property
Inp	[3078.00; 3078.00]
Inp	3078.00		NIST
Inp	3078.00		NIST
Tboil	669.95	K	Relay (1.0) Calculated Property
Tc	853.06	K	Relay (1.0) Calculated Property
Tfus	312.24	K	Relay (1.0) Calculated Property
Vc	1.690	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1585.28; 1695.55]	J/mol×K	[1023.83; 1270.11]
Cp,gas	1585.28	J/mol×K	1023.83	Joback Calculated Property
Cp,gas	1608.12	J/mol×K	1064.88	Joback Calculated Property
Cp,gas	1628.99	J/mol×K	1105.92	Joback Calculated Property
Cp,gas	1648.04	J/mol×K	1146.97	Joback Calculated Property
Cp,gas	1665.40	J/mol×K	1188.02	Joback Calculated Property
Cp,gas	1681.19	J/mol×K	1229.07	Joback Calculated Property
Cp,gas	1695.55	J/mol×K	1270.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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