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

InChI

InChI=1S/C21H41NO4/c1-6-8-10-11-12-14-16-26-21(24)22(5)19(17-18(3)4)20(23)25-15-13-9-7-2/h18-19H,6-17H2,1-5H3/t19-/m1/s1

InChI Key

FFMMCHGUTRXQBP-LJQANCHMSA-N

Formula

C21H41NO4

SMILES

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

Molecular Weight¹

371.55

• 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°	-236.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-909.40	kJ/mol	Joback Calculated Property
ΔfusH°	51.69	kJ/mol	Joback Calculated Property
ΔvapH°	81.92	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen Calculated Property
logPoct/wat	5.563		Crippen Calculated Property
McVol	331.610	ml/mol	McGowan Calculated Property
Pc	1022.04	kPa	Joback Calculated Property
Inp	[3009.00; 3009.00]
Inp	3009.00		NIST
Inp	3009.00		NIST
Tboil	844.02	K	Joback Calculated Property
Tc	1034.17	K	Joback Calculated Property
Tfus	473.22	K	Joback Calculated Property
Vc	1.266	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1074.95; 1171.23]	J/mol×K	[844.02; 1034.17]
Cp,gas	1074.95	J/mol×K	844.02	Joback Calculated Property
Cp,gas	1093.87	J/mol×K	875.71	Joback Calculated Property
Cp,gas	1111.61	J/mol×K	907.40	Joback Calculated Property
Cp,gas	1128.18	J/mol×K	939.09	Joback Calculated Property
Cp,gas	1143.62	J/mol×K	970.78	Joback Calculated Property
Cp,gas	1157.96	J/mol×K	1002.48	Joback Calculated Property
Cp,gas	1171.23	J/mol×K	1034.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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