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

InChI

InChI=1S/C24H46ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-29-23(27)22(20-21(2)3)26(4)24(28)30-19-16-17-25/h21-22H,5-20H2,1-4H3/t22-/m1/s1

InChI Key

XYNSLFIABUIBDY-JOCHJYFZSA-N

Formula

C24H46ClNO4

SMILES

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

Molecular Weight¹

448.08

• 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	1.1492		Relay (1.0) Calculated Property
ΔfG°	-222.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1144.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.66	kJ/mol	Joback Calculated Property
ΔvapH°	121.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-6.30		Relay (1.0) Calculated Property
logPoct/wat	6.953		Crippen Calculated Property
McVol	386.120	ml/mol	McGowan Calculated Property
Pc	838.70	kPa	Joback Calculated Property
Inp	[2896.00; 2896.00]
Inp	2896.00		NIST
Inp	2896.00		NIST
Tboil	653.49	K	Relay (1.0) Calculated Property
Tc	849.66	K	Relay (1.0) Calculated Property
Tfus	282.87	K	Relay (1.0) Calculated Property
Vc	1.428	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1293.65; 1387.20]	J/mol×K	[950.09; 1166.21]
Cp,gas	1293.65	J/mol×K	950.09	Joback Calculated Property
Cp,gas	1312.91	J/mol×K	986.11	Joback Calculated Property
Cp,gas	1330.63	J/mol×K	1022.13	Joback Calculated Property
Cp,gas	1346.87	J/mol×K	1058.15	Joback Calculated Property
Cp,gas	1361.67	J/mol×K	1094.17	Joback Calculated Property
Cp,gas	1375.10	J/mol×K	1130.19	Joback Calculated Property
Cp,gas	1387.20	J/mol×K	1166.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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