Chemical Properties of L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, hexyl ester

InChI

InChI=1S/C20H39NO4/c1-6-8-10-12-14-24-19(22)18(16-17(3)4)21(5)20(23)25-15-13-11-9-7-2/h17-18H,6-16H2,1-5H3/t18-/m1/s1

InChI Key

RAHVZUVOGROZMD-GOSISDBHSA-N

Formula

C20H39NO4

SMILES

CCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCCCCC

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	0.9688		Relay (1.0) Calculated Property
ΔfG°	-244.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1030.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.10	kJ/mol	Joback Calculated Property
ΔvapH°	97.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-4.73		Relay (1.0) Calculated Property
logPoct/wat	5.173		Crippen Calculated Property
McVol	317.520	ml/mol	McGowan Calculated Property
Pc	1087.78	kPa	Joback Calculated Property
Inp	[2139.00; 2139.00]
Inp	2139.00		NIST
Inp	2139.00		NIST
Tboil	610.74	K	Relay (1.0) Calculated Property
Tc	787.14	K	Relay (1.0) Calculated Property
Tfus	251.35	K	Relay (1.0) Calculated Property
Vc	1.187	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.53; 1108.50]	J/mol×K	[821.14; 1007.78]
Cp,gas	1013.53	J/mol×K	821.14	Joback Calculated Property
Cp,gas	1032.07	J/mol×K	852.25	Joback Calculated Property
Cp,gas	1049.49	J/mol×K	883.35	Joback Calculated Property
Cp,gas	1065.82	J/mol×K	914.46	Joback Calculated Property
Cp,gas	1081.08	J/mol×K	945.57	Joback Calculated Property
Cp,gas	1095.30	J/mol×K	976.68	Joback Calculated Property
Cp,gas	1108.50	J/mol×K	1007.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, hexyl ester.

Sources

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

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