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

InChI

InChI=1S/C27H53NO4/c1-7-10-12-13-14-15-16-17-18-20-31-26(29)25(21-23(4)5)28(6)27(30)32-22-24(9-3)19-11-8-2/h23-25H,7-22H2,1-6H3

InChI Key

ZCNAHFCUZWTEGU-UHFFFAOYSA-N

Formula

C27H53NO4

SMILES

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

Molecular Weight¹

455.71

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1640		Relay (... Calculated Property
ΔfG°	-187.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1187.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	63.71	kJ/mol	Joback Calculated Property
ΔvapH°	121.06	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-6.82		Relay (... Calculated Property
logPoct/wat	7.760		Crippen Calculated Property
McVol	416.150	ml/mol	McGowan Calculated Property
Pc	732.04	kPa	Joback Calculated Property
Inp	[2708.00; 2708.00]
Inp	2708.00		NIST
Inp	2708.00		NIST
Tboil	661.01	K	Relay (... Calculated Property
Tc	840.58	K	Relay (... Calculated Property
Tfus	245.06	K	Relay (... Calculated Property
Vc	1.549	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1455.86; 1559.49]	J/mol×K	[980.86; 1210.38]
Cp,gas	1455.86	J/mol×K	980.86	Joback Calculated Property
Cp,gas	1477.58	J/mol×K	1019.11	Joback Calculated Property
Cp,gas	1497.41	J/mol×K	1057.37	Joback Calculated Property
Cp,gas	1515.45	J/mol×K	1095.62	Joback Calculated Property
Cp,gas	1531.76	J/mol×K	1133.87	Joback Calculated Property
Cp,gas	1546.42	J/mol×K	1172.13	Joback Calculated Property
Cp,gas	1559.49	J/mol×K	1210.38	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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