Chemical Properties of Glutaric acid, monoamide, N-butyl-N-phenyl-, octadecyl ester

InChI

InChI=1S/C33H57NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-37-33(36)28-24-27-32(35)34(29-6-4-2)31-25-21-20-22-26-31/h20-22,25-26H,3-19,23-24,27-30H2,1-2H3

InChI Key

GHUUCTIKRACRDB-UHFFFAOYSA-N

Formula

C33H57NO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)N(CCCC)c1ccccc1

Molecular Weight¹

515.81

• 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°	87.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-777.77	kJ/mol	Joback Calculated Property
ΔfusH°	82.67	kJ/mol	Joback Calculated Property
ΔvapH°	109.27	kJ/mol	Joback Calculated Property
log10WS	-10.48		Crippen Calculated Property
logPoct/wat	9.795		Crippen Calculated Property
McVol	471.060	ml/mol	McGowan Calculated Property
Pc	641.57	kPa	Joback Calculated Property
Inp	[3309.00; 3309.00]
Inp	3309.00		NIST
Inp	3309.00		NIST
Tboil	1123.72	K	Joback Calculated Property
Tc	1412.30	K	Joback Calculated Property
Tfus	642.65	K	Joback Calculated Property
Vc	1.823	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1708.47; 1819.22]	J/mol×K	[1123.72; 1412.30]
Cp,gas	1708.47	J/mol×K	1123.72	Joback Calculated Property
Cp,gas	1731.43	J/mol×K	1171.82	Joback Calculated Property
Cp,gas	1752.26	J/mol×K	1219.91	Joback Calculated Property
Cp,gas	1771.20	J/mol×K	1268.01	Joback Calculated Property
Cp,gas	1788.51	J/mol×K	1316.11	Joback Calculated Property
Cp,gas	1804.44	J/mol×K	1364.21	Joback Calculated Property
Cp,gas	1819.22	J/mol×K	1412.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-butyl-N-phenyl-, octadecyl ester.

Sources

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

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