Chemical Properties of Glutaric acid, monoamide, N,N-di(4-methylphenyl)-, isobutyl ester

InChI

InChI=1S/C23H29NO3/c1-17(2)16-27-23(26)7-5-6-22(25)24(20-12-8-18(3)9-13-20)21-14-10-19(4)11-15-21/h8-15,17H,5-7,16H2,1-4H3

InChI Key

NLOCCALFVHBTED-UHFFFAOYSA-N

Formula

C23H29NO3

SMILES

Cc1ccc(N(C(=O)CCCC(=O)OCC(C)C)c2ccc(C)cc2)cc1

Molecular Weight¹

367.48

• 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°	93.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-363.06	kJ/mol	Joback Calculated Property
ΔfusH°	46.51	kJ/mol	Joback Calculated Property
ΔvapH°	90.23	kJ/mol	Joback Calculated Property
log10WS	-5.87		Crippen Calculated Property
logPoct/wat	5.338		Crippen Calculated Property
McVol	306.400	ml/mol	McGowan Calculated Property
Pc	1393.33	kPa	Joback Calculated Property
Inp	[2746.00; 2746.00]
Inp	2746.00		NIST
Inp	2746.00		NIST
Tboil	931.12	K	Joback Calculated Property
Tc	1154.54	K	Joback Calculated Property
Tfus	566.41	K	Joback Calculated Property
Vc	1.149	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[970.96; 1043.80]	J/mol×K	[931.12; 1154.54]
Cp,gas	970.96	J/mol×K	931.12	Joback Calculated Property
Cp,gas	986.07	J/mol×K	968.36	Joback Calculated Property
Cp,gas	999.89	J/mol×K	1005.59	Joback Calculated Property
Cp,gas	1012.51	J/mol×K	1042.83	Joback Calculated Property
Cp,gas	1023.98	J/mol×K	1080.07	Joback Calculated Property
Cp,gas	1034.39	J/mol×K	1117.31	Joback Calculated Property
Cp,gas	1043.80	J/mol×K	1154.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N,N-di(4-methylphenyl)-, isobutyl ester.

Sources

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

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