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

InChI

InChI=1S/C24H47NO4/c1-8-12-14-20(10-3)17-28-23(26)22(16-19(5)6)25(7)24(27)29-18-21(11-4)15-13-9-2/h19-22H,8-18H2,1-7H3

InChI Key

GUQMKWFYHFXPES-UHFFFAOYSA-N

Formula

C24H47NO4

SMILES

CCCCC(CC)COC(=O)C(CC(C)C)N(C)C(=O)OCC(CC)CCCC

Molecular Weight¹

413.63

• 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	1.0070		Relay (... Calculated Property
ΔfG°	-215.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1151.80	kJ/mol	Relay (... Calculated Property
ΔfusH°	52.42	kJ/mol	Joback Calculated Property
ΔvapH°	108.47	kJ/mol	Relay (... Calculated Property
IE	8.74	eV	Relay (... Calculated Property
log10WS	-5.77		Relay (... Calculated Property
logPoct/wat	6.446		Crippen Calculated Property
McVol	373.880	ml/mol	McGowan Calculated Property
Pc	865.05	kPa	Joback Calculated Property
Inp	[2344.00; 2344.00]
Inp	2344.00		NIST
Inp	2344.00		NIST
Tboil	639.95	K	Relay (... Calculated Property
Tc	815.60	K	Relay (... Calculated Property
Tfus	219.30	K	Relay (... Calculated Property
Vc	1.371	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1263.83; 1363.13]	J/mol×K	[911.78; 1116.63]
Cp,gas	1263.83	J/mol×K	911.78	Joback Calculated Property
Cp,gas	1283.92	J/mol×K	945.92	Joback Calculated Property
Cp,gas	1302.53	J/mol×K	980.06	Joback Calculated Property
Cp,gas	1319.71	J/mol×K	1014.21	Joback Calculated Property
Cp,gas	1335.51	J/mol×K	1048.35	Joback Calculated Property
Cp,gas	1349.97	J/mol×K	1082.49	Joback Calculated Property
Cp,gas	1363.13	J/mol×K	1116.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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