Chemical Properties of L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentadecyl ester

InChI

InChI=1S/C26H50ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-25(29)24(22-23(2)3)28(4)26(30)32-21-18-19-27/h23-24H,5-22H2,1-4H3/t24-/m1/s1

InChI Key

CVXVYIQGEFUALZ-XMMPIXPASA-N

Formula

C26H50ClNO4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCCCl

Molecular Weight¹

476.13

• 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	1.2199		Relay (1.0) Calculated Property
ΔfG°	-205.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1183.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.84	kJ/mol	Joback Calculated Property
ΔvapH°	128.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-6.93		Relay (1.0) Calculated Property
logPoct/wat	7.733		Crippen Calculated Property
McVol	414.300	ml/mol	McGowan Calculated Property
Pc	752.67	kPa	Joback Calculated Property
Inp	[3111.00; 3111.00]
Inp	3111.00		NIST
Inp	3111.00		NIST
Tboil	666.76	K	Relay (1.0) Calculated Property
Tc	863.36	K	Relay (1.0) Calculated Property
Tfus	290.38	K	Relay (1.0) Calculated Property
Vc	1.537	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1420.85; 1517.05]	J/mol×K	[995.85; 1229.80]
Cp,gas	1420.85	J/mol×K	995.85	Joback Calculated Property
Cp,gas	1441.19	J/mol×K	1034.84	Joback Calculated Property
Cp,gas	1459.71	J/mol×K	1073.83	Joback Calculated Property
Cp,gas	1476.48	J/mol×K	1112.82	Joback Calculated Property
Cp,gas	1491.57	J/mol×K	1151.82	Joback Calculated Property
Cp,gas	1505.07	J/mol×K	1190.81	Joback Calculated Property
Cp,gas	1517.05	J/mol×K	1229.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentadecyl ester.

Sources

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

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