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

InChI

InChI=1S/C26H43NO5/c1-5-6-7-8-9-10-14-17-31-25(28)24(20-22(2)3)27(4)26(29)32-19-18-30-21-23-15-12-11-13-16-23/h11-13,15-16,22,24H,5-10,14,17-21H2,1-4H3/t24-/m1/s1

InChI Key

GGDNSOVBEHVBJT-XMMPIXPASA-N

Formula

C26H43NO5

SMILES

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

Molecular Weight¹

449.62

• 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	1.1420		Relay (1.0) Calculated Property
ΔfG°	-186.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1036.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.87	kJ/mol	Joback Calculated Property
ΔvapH°	126.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-5.28		Relay (1.0) Calculated Property
logPoct/wat	5.980		Crippen Calculated Property
McVol	384.170	ml/mol	McGowan Calculated Property
Pc	921.62	kPa	Joback Calculated Property
Inp	[2904.00; 2904.00]
Inp	2904.00		NIST
Inp	2904.00		NIST
Tboil	689.99	K	Relay (1.0) Calculated Property
Tc	892.66	K	Relay (1.0) Calculated Property
Tfus	278.27	K	Relay (1.0) Calculated Property
Vc	1.405	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1318.36; 1394.05]	J/mol×K	[1007.52; 1235.05]
Cp,gas	1318.36	J/mol×K	1007.52	Joback Calculated Property
Cp,gas	1335.19	J/mol×K	1045.44	Joback Calculated Property
Cp,gas	1350.26	J/mol×K	1083.36	Joback Calculated Property
Cp,gas	1363.62	J/mol×K	1121.28	Joback Calculated Property
Cp,gas	1375.33	J/mol×K	1159.20	Joback Calculated Property
Cp,gas	1385.45	J/mol×K	1197.12	Joback Calculated Property
Cp,gas	1394.05	J/mol×K	1235.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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