Chemical Properties of L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, isohexyl ester

InChI

InChI=1S/C24H45NO4/c1-16(2)10-9-13-28-23(26)21(14-17(3)4)25(8)24(27)29-22-15-19(7)11-12-20(22)18(5)6/h16-22H,9-15H2,1-8H3

InChI Key

HFEAFMSQYQSXKI-UHFFFAOYSA-N

Formula

C24H45NO4

SMILES

CC(C)CCCOC(=O)C(CC(C)C)N(C)C(=O)OC1CC(C)CCC1C(C)C

Molecular Weight¹

411.62

• 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	0.8709		Relay (1.0) Calculated Property
ΔfG°	-206.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1098.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.40	kJ/mol	Joback Calculated Property
ΔvapH°	107.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-5.60		Relay (1.0) Calculated Property
logPoct/wat	5.910		Crippen Calculated Property
McVol	363.020	ml/mol	McGowan Calculated Property
Pc	940.37	kPa	Joback Calculated Property
Inp	[2424.00; 2424.00]
Inp	2424.00		NIST
Inp	2424.00		NIST
Tboil	644.92	K	Relay (1.0) Calculated Property
Tc	843.62	K	Relay (1.0) Calculated Property
Tfus	275.66	K	Relay (1.0) Calculated Property
Vc	1.298	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1268.65; 1363.00]	J/mol×K	[921.99; 1130.51]
Cp,gas	1268.65	J/mol×K	921.99	Joback Calculated Property
Cp,gas	1288.67	J/mol×K	956.74	Joback Calculated Property
Cp,gas	1306.92	J/mol×K	991.50	Joback Calculated Property
Cp,gas	1323.45	J/mol×K	1026.25	Joback Calculated Property
Cp,gas	1338.28	J/mol×K	1061.00	Joback Calculated Property
Cp,gas	1351.45	J/mol×K	1095.76	Joback Calculated Property
Cp,gas	1363.00	J/mol×K	1130.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, isohexyl ester.

Sources

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

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