Chemical Properties of DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octadecyl ester

InChI

InChI=1S/C31H61NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-35-30(33)28(4)32(5)31(34)36-27-29(8-3)25-10-7-2/h28-29H,6-27H2,1-5H3

InChI Key

CESNFJYVGUNCQM-UHFFFAOYSA-N

Formula

C31H61NO4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCC(CC)CCCC

Molecular Weight¹

511.82

• 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).
• 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
ΔfG°	-151.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1115.80	kJ/mol	Joback Calculated Property
ΔfusH°	77.59	kJ/mol	Joback Calculated Property
ΔvapH°	104.18	kJ/mol	Joback Calculated Property
log10WS	-9.94		Crippen Calculated Property
logPoct/wat	9.464		Crippen Calculated Property
McVol	472.510	ml/mol	McGowan Calculated Property
Pc	598.38	kPa	Joback Calculated Property
Inp	[3282.00; 3282.00]
Inp	3282.00		NIST
Inp	3282.00		NIST
Tboil	1072.82	K	Joback Calculated Property
Tc	1357.65	K	Joback Calculated Property
Tfus	585.92	K	Joback Calculated Property
Vc	1.825	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1716.91; 1827.50]	J/mol×K	[1072.82; 1357.65]
Cp,gas	1716.91	J/mol×K	1072.82	Joback Calculated Property
Cp,gas	1741.83	J/mol×K	1120.29	Joback Calculated Property
Cp,gas	1763.93	J/mol×K	1167.76	Joback Calculated Property
Cp,gas	1783.38	J/mol×K	1215.23	Joback Calculated Property
Cp,gas	1800.34	J/mol×K	1262.71	Joback Calculated Property
Cp,gas	1814.99	J/mol×K	1310.18	Joback Calculated Property
Cp,gas	1827.50	J/mol×K	1357.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octadecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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