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

InChI

InChI=1S/C21H33NO3/c1-4-5-16-22(19-12-7-6-8-13-19)20(23)14-9-15-21(24)25-17-10-11-18(2)3/h6-8,12-13,18H,4-5,9-11,14-17H2,1-3H3

InChI Key

UNZMNTWNFFWOKX-UHFFFAOYSA-N

Formula

C21H33NO3

SMILES

CCCCN(C(=O)CCCC(=O)OCCCC(C)C)c1ccccc1

Molecular Weight¹

347.49

• 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°	-16.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.37	kJ/mol	Joback Calculated Property
ΔfusH°	48.07	kJ/mol	Joback Calculated Property
ΔvapH°	82.17	kJ/mol	Joback Calculated Property
log10WS	-5.22		Crippen Calculated Property
logPoct/wat	4.969		Crippen Calculated Property
McVol	301.980	ml/mol	McGowan Calculated Property
Pc	1286.51	kPa	Joback Calculated Property
Inp	[2504.00; 2504.00]
Inp	2504.00		NIST
Inp	2504.00		NIST
Tboil	848.72	K	Joback Calculated Property
Tc	1049.18	K	Joback Calculated Property
Tfus	492.41	K	Joback Calculated Property
Vc	1.145	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.02; 1037.03]	J/mol×K	[848.72; 1049.18]
Cp,gas	951.02	J/mol×K	848.72	Joback Calculated Property
Cp,gas	968.05	J/mol×K	882.13	Joback Calculated Property
Cp,gas	983.93	J/mol×K	915.54	Joback Calculated Property
Cp,gas	998.72	J/mol×K	948.95	Joback Calculated Property
Cp,gas	1012.46	J/mol×K	982.36	Joback Calculated Property
Cp,gas	1025.22	J/mol×K	1015.77	Joback Calculated Property
Cp,gas	1037.03	J/mol×K	1049.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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