Chemical Properties of l-Leucine, N-allyloxycarbonyl-N-methyl-, isohexyl ester

InChI

InChI=1S/C17H31NO4/c1-7-10-22-17(20)18(6)15(12-14(4)5)16(19)21-11-8-9-13(2)3/h7,13-15H,1,8-12H2,2-6H3

InChI Key

WYBIQOWOULITPS-UHFFFAOYSA-N

Formula

C17H31NO4

SMILES

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

Molecular Weight¹

313.43

• 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°	-184.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-706.69	kJ/mol	Joback Calculated Property
ΔfusH°	36.53	kJ/mol	Joback Calculated Property
ΔvapH°	71.96	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	3.635		Crippen Calculated Property
McVol	270.950	ml/mol	McGowan Calculated Property
Pc	1377.86	kPa	Joback Calculated Property
Inp	[1868.00; 1868.00]
Inp	1868.00		NIST
Inp	1868.00		NIST
Tboil	748.74	K	Joback Calculated Property
Tc	932.46	K	Joback Calculated Property
Tfus	411.38	K	Joback Calculated Property
Vc	1.016	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[809.00; 897.90]	J/mol×K	[748.74; 932.46]
Cp,gas	809.00	J/mol×K	748.74	Joback Calculated Property
Cp,gas	826.16	J/mol×K	779.36	Joback Calculated Property
Cp,gas	842.35	J/mol×K	809.98	Joback Calculated Property
Cp,gas	857.60	J/mol×K	840.60	Joback Calculated Property
Cp,gas	871.93	J/mol×K	871.22	Joback Calculated Property
Cp,gas	885.36	J/mol×K	901.84	Joback Calculated Property
Cp,gas	897.90	J/mol×K	932.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-allyloxycarbonyl-N-methyl-, isohexyl ester.

Sources

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

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