Chemical Properties of L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, 2-(benzyloxy)ethyl ester

InChI

InChI=1S/C26H35NO6/c1-21(2)18-24(25(28)32-16-14-30-19-22-10-6-4-7-11-22)27(3)26(29)33-17-15-31-20-23-12-8-5-9-13-23/h4-13,21,24H,14-20H2,1-3H3/t24-/m1/s1

InChI Key

HAOSXWJKNOWILL-XMMPIXPASA-N

Formula

C26H35NO6

SMILES

CC(C)CC(C(=O)OCCOCc1ccccc1)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

457.56

• 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	1.0669		Relay (1.0) Calculated Property
ΔfG°	-179.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-916.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.10	kJ/mol	Joback Calculated Property
ΔvapH°	140.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-4.06		Relay (1.0) Calculated Property
logPoct/wat	4.446		Crippen Calculated Property
McVol	366.280	ml/mol	McGowan Calculated Property
Pc	1126.08	kPa	Joback Calculated Property
Inp	[3162.00; 3162.00]
Inp	3162.00		NIST
Inp	3162.00		NIST
Tboil	722.70	K	Relay (1.0) Calculated Property
Tc	958.43	K	Relay (1.0) Calculated Property
Tfus	303.94	K	Relay (1.0) Calculated Property
Vc	1.316	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1235.77; 1282.30]	J/mol×K	[1056.62; 1293.63]
Cp,gas	1235.77	J/mol×K	1056.62	Joback Calculated Property
Cp,gas	1248.05	J/mol×K	1096.12	Joback Calculated Property
Cp,gas	1258.44	J/mol×K	1135.62	Joback Calculated Property
Cp,gas	1267.01	J/mol×K	1175.12	Joback Calculated Property
Cp,gas	1273.81	J/mol×K	1214.63	Joback Calculated Property
Cp,gas	1278.88	J/mol×K	1254.13	Joback Calculated Property
Cp,gas	1282.30	J/mol×K	1293.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, 2-(benzyloxy)ethyl ester.

Sources

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

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