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

InChI

InChI=1S/C22H43NO4/c1-7-8-9-10-11-12-15-27-22(25)23(6)20(17-19(4)5)21(24)26-16-13-14-18(2)3/h18-20H,7-17H2,1-6H3/t20-/m1/s1

InChI Key

QWQUUFWQSSPWMQ-HXUWFJFHSA-N

Formula

C22H43NO4

SMILES

CCCCCCCCOC(=O)N(C)C(CC(C)C)C(=O)OCCCC(C)C

Molecular Weight¹

385.58

• 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°	-230.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-935.32	kJ/mol	Joback Calculated Property
ΔfusH°	50.76	kJ/mol	Joback Calculated Property
ΔvapH°	83.76	kJ/mol	Joback Calculated Property
log10WS	-5.93		Crippen Calculated Property
logPoct/wat	5.809		Crippen Calculated Property
McVol	345.700	ml/mol	McGowan Calculated Property
Pc	966.87	kPa	Joback Calculated Property
Inp	[3085.00; 3085.00]
Inp	3085.00		NIST
Inp	3085.00		NIST
Tboil	866.46	K	Joback Calculated Property
Tc	1061.06	K	Joback Calculated Property
Tfus	469.49	K	Joback Calculated Property
Vc	1.315	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1137.50; 1234.92]	J/mol×K	[866.46; 1061.06]
Cp,gas	1137.50	J/mol×K	866.46	Joback Calculated Property
Cp,gas	1156.82	J/mol×K	898.89	Joback Calculated Property
Cp,gas	1174.87	J/mol×K	931.33	Joback Calculated Property
Cp,gas	1191.67	J/mol×K	963.76	Joback Calculated Property
Cp,gas	1207.26	J/mol×K	996.19	Joback Calculated Property
Cp,gas	1221.67	J/mol×K	1028.62	Joback Calculated Property
Cp,gas	1234.92	J/mol×K	1061.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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