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

InChI

InChI=1S/C20H39NO4/c1-7-8-9-10-13-25-20(23)21(6)18(15-17(4)5)19(22)24-14-11-12-16(2)3/h16-18H,7-15H2,1-6H3/t18-/m1/s1

InChI Key

TXHSAZYIGGNWSP-GOSISDBHSA-N

Formula

C20H39NO4

SMILES

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

Molecular Weight¹

357.53

• 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°	-246.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-894.04	kJ/mol	Joback Calculated Property
ΔfusH°	45.58	kJ/mol	Joback Calculated Property
ΔvapH°	79.30	kJ/mol	Joback Calculated Property
log10WS	-5.10		Crippen Calculated Property
logPoct/wat	5.029		Crippen Calculated Property
McVol	317.520	ml/mol	McGowan Calculated Property
Pc	1093.54	kPa	Joback Calculated Property
Inp	[2100.00; 2100.00]
Inp	2100.00		NIST
Inp	2100.00		NIST
Tboil	820.70	K	Joback Calculated Property
Tc	1008.12	K	Joback Calculated Property
Tfus	446.95	K	Joback Calculated Property
Vc	1.204	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1014.01; 1109.16]	J/mol×K	[820.70; 1008.12]
Cp,gas	1014.01	J/mol×K	820.70	Joback Calculated Property
Cp,gas	1032.62	J/mol×K	851.94	Joback Calculated Property
Cp,gas	1050.10	J/mol×K	883.17	Joback Calculated Property
Cp,gas	1066.47	J/mol×K	914.41	Joback Calculated Property
Cp,gas	1081.75	J/mol×K	945.64	Joback Calculated Property
Cp,gas	1095.97	J/mol×K	976.88	Joback Calculated Property
Cp,gas	1109.16	J/mol×K	1008.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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