Chemical Properties of Glutaric acid, monoamide, N-(2-phenylpropyl)-, hexyl ester

InChI

InChI=1S/C20H31NO3/c1-3-4-5-9-15-24-20(23)14-10-13-19(22)21-16-17(2)18-11-7-6-8-12-18/h6-8,11-12,17H,3-5,9-10,13-16H2,1-2H3,(H,21,22)

InChI Key

GIQYWJMDOGFENH-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

CCCCCCOC(=O)CCCC(=O)NCC(C)c1ccccc1

Molecular Weight¹

333.46

• 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°	-45.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-528.79	kJ/mol	Joback Calculated Property
ΔfusH°	47.56	kJ/mol	Joback Calculated Property
ΔvapH°	84.34	kJ/mol	Joback Calculated Property
log10WS	-5.09		Crippen Calculated Property
logPoct/wat	4.200		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1395.41	kPa	Joback Calculated Property
Inp	[2630.00; 2630.00]
Inp	2630.00		NIST
Inp	2630.00		NIST
Tboil	863.57	K	Joback Calculated Property
Tc	1067.89	K	Joback Calculated Property
Tfus	501.33	K	Joback Calculated Property
Vc	1.107	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[909.18; 989.00]	J/mol×K	[863.57; 1067.89]
Cp,gas	909.18	J/mol×K	863.57	Joback Calculated Property
Cp,gas	925.17	J/mol×K	897.62	Joback Calculated Property
Cp,gas	940.02	J/mol×K	931.68	Joback Calculated Property
Cp,gas	953.79	J/mol×K	965.73	Joback Calculated Property
Cp,gas	966.51	J/mol×K	999.78	Joback Calculated Property
Cp,gas	978.23	J/mol×K	1033.84	Joback Calculated Property
Cp,gas	989.00	J/mol×K	1067.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(2-phenylpropyl)-, hexyl ester.

Sources

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

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