Chemical Properties of L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isohexyl ester

InChI

InChI=1S/C22H43NO4/c1-8-10-13-19(9-2)16-27-22(25)23(7)20(15-18(5)6)21(24)26-14-11-12-17(3)4/h17-20H,8-16H2,1-7H3

InChI Key

PYKQTWCLZSKDRM-UHFFFAOYSA-N

Formula

C22H43NO4

SMILES

CCCCC(CC)COC(=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°	-232.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-940.60	kJ/mol	Joback Calculated Property
ΔfusH°	47.24	kJ/mol	Joback Calculated Property
ΔvapH°	83.37	kJ/mol	Joback Calculated Property
log10WS	-5.69		Crippen Calculated Property
logPoct/wat	5.665		Crippen Calculated Property
McVol	345.700	ml/mol	McGowan Calculated Property
Pc	971.70	kPa	Joback Calculated Property
Inp	[2212.00; 2212.00]
Inp	2212.00		NIST
Inp	2212.00		NIST
Tboil	866.02	K	Joback Calculated Property
Tc	1060.86	K	Joback Calculated Property
Tfus	454.49	K	Joback Calculated Property
Vc	1.310	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1137.95; 1235.25]	J/mol×K	[866.02; 1060.86]
Cp,gas	1137.95	J/mol×K	866.02	Joback Calculated Property
Cp,gas	1157.28	J/mol×K	898.49	Joback Calculated Property
Cp,gas	1175.33	J/mol×K	930.97	Joback Calculated Property
Cp,gas	1192.12	J/mol×K	963.44	Joback Calculated Property
Cp,gas	1207.68	J/mol×K	995.91	Joback Calculated Property
Cp,gas	1222.04	J/mol×K	1028.38	Joback Calculated Property
Cp,gas	1235.25	J/mol×K	1060.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isohexyl ester.

Sources

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

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