Chemical Properties of DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester

InChI

InChI=1S/C26H50ClNO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-25(29)24(2)28(3)26(30)32-23-20-21-27/h24H,4-23H2,1-3H3

InChI Key

AJZUYOZMCXDMLG-UHFFFAOYSA-N

Formula

C26H50ClNO4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)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	1.2656		Relay (1.0) Calculated Property
ΔfG°	-203.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1190.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.36	kJ/mol	Joback Calculated Property
ΔvapH°	134.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-7.03		Relay (1.0) Calculated Property
logPoct/wat	7.877		Crippen Calculated Property
McVol	414.300	ml/mol	McGowan Calculated Property
Pc	749.38	kPa	Joback Calculated Property
Inp	[3172.00; 3172.00]
Inp	3172.00		NIST
Inp	3172.00		NIST
Tboil	662.08	K	Relay (1.0) Calculated Property
Tc	867.05	K	Relay (1.0) Calculated Property
Tfus	314.07	K	Relay (1.0) Calculated Property
Vc	1.564	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1420.55; 1517.95]	J/mol×K	[996.29; 1232.29]
Cp,gas	1420.55	J/mol×K	996.29	Joback Calculated Property
Cp,gas	1441.12	J/mol×K	1035.62	Joback Calculated Property
Cp,gas	1459.85	J/mol×K	1074.96	Joback Calculated Property
Cp,gas	1476.82	J/mol×K	1114.29	Joback Calculated Property
Cp,gas	1492.11	J/mol×K	1153.62	Joback Calculated Property
Cp,gas	1505.79	J/mol×K	1192.95	Joback Calculated Property
Cp,gas	1517.95	J/mol×K	1232.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester.

Sources

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

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