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

InChI

InChI=1S/C20H39NO4/c1-8-10-11-17(9-2)14-25-20(23)21(7)18(12-15(3)4)19(22)24-13-16(5)6/h15-18H,8-14H2,1-7H3

InChI Key

UDMFZLUNHJAAKK-UHFFFAOYSA-N

Formula

C20H39NO4

SMILES

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

Molecular Weight¹

357.53

• 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	0.8895		Relay (... Calculated Property
ΔfG°	-249.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1067.40	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.06	kJ/mol	Joback Calculated Property
ΔvapH°	93.06	kJ/mol	Relay (... Calculated Property
IE	8.80	eV	Relay (... Calculated Property
log10WS	-4.67		Relay (... Calculated Property
logPoct/wat	4.885		Crippen Calculated Property
McVol	317.520	ml/mol	McGowan Calculated Property
Pc	1099.35	kPa	Joback Calculated Property
Inp	[2037.00; 2037.00]
Inp	2037.00		NIST
Inp	2037.00		NIST
Tboil	610.04	K	Relay (... Calculated Property
Tc	777.80	K	Relay (... Calculated Property
Tfus	229.23	K	Relay (... Calculated Property
Vc	1.164	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1014.48; 1109.87]	J/mol×K	[820.26; 1008.59]
Cp,gas	1014.48	J/mol×K	820.26	Joback Calculated Property
Cp,gas	1033.19	J/mol×K	851.65	Joback Calculated Property
Cp,gas	1050.73	J/mol×K	883.04	Joback Calculated Property
Cp,gas	1067.15	J/mol×K	914.42	Joback Calculated Property
Cp,gas	1082.46	J/mol×K	945.81	Joback Calculated Property
Cp,gas	1096.69	J/mol×K	977.20	Joback Calculated Property
Cp,gas	1109.87	J/mol×K	1008.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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