Chemical Properties of l-Leucine, N-neopentyloxycarbonyl-N-methyl-, undecyl ester

InChI

InChI=1S/C24H47NO4/c1-8-9-10-11-12-13-14-15-16-17-28-22(26)21(18-20(2)3)25(7)23(27)29-19-24(4,5)6/h20-21H,8-19H2,1-7H3

InChI Key

UDTWLNOOKOZOKH-UHFFFAOYSA-N

Formula

C24H47NO4

SMILES

CCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCC(C)(C)C

Molecular Weight¹

413.63

• 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°	-207.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-980.07	kJ/mol	Joback Calculated Property
ΔfusH°	52.05	kJ/mol	Joback Calculated Property
ΔvapH°	87.30	kJ/mol	Joback Calculated Property
log10WS	-6.77		Crippen Calculated Property
logPoct/wat	6.590		Crippen Calculated Property
McVol	373.880	ml/mol	McGowan Calculated Property
Pc	866.58	kPa	Joback Calculated Property
Inp	[2480.00; 2480.00]
Inp	2480.00		NIST
Inp	2480.00		NIST
Tboil	909.43	K	Joback Calculated Property
Tc	1113.51	K	Joback Calculated Property
Tfus	509.45	K	Joback Calculated Property
Vc	1.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1263.00; 1363.38]	J/mol×K	[909.43; 1113.51]
Cp,gas	1263.00	J/mol×K	909.43	Joback Calculated Property
Cp,gas	1282.95	J/mol×K	943.44	Joback Calculated Property
Cp,gas	1301.53	J/mol×K	977.46	Joback Calculated Property
Cp,gas	1318.80	J/mol×K	1011.47	Joback Calculated Property
Cp,gas	1334.83	J/mol×K	1045.48	Joback Calculated Property
Cp,gas	1349.67	J/mol×K	1079.49	Joback Calculated Property
Cp,gas	1363.38	J/mol×K	1113.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-neopentyloxycarbonyl-N-methyl-, undecyl ester.

Sources

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

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