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

InChI

InChI=1S/C27H37NO3/c1-4-5-6-7-8-9-21-31-27(30)12-10-11-26(29)28(24-17-13-22(2)14-18-24)25-19-15-23(3)16-20-25/h13-20H,4-12,21H2,1-3H3

InChI Key

IHJBYDGHOBTQDE-UHFFFAOYSA-N

Formula

C27H37NO3

SMILES

CCCCCCCCOC(=O)CCCC(=O)N(c1ccc(C)cc1)c1ccc(C)cc1

Molecular Weight¹

423.59

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1487		Relay (1.0) Calculated Property
ΔfG°	129.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-593.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.40	kJ/mol	Joback Calculated Property
ΔvapH°	118.99	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	Relay (1.0) Calculated Property
log10WS	-6.56		Relay (1.0) Calculated Property
logPoct/wat	7.042		Crippen Calculated Property
McVol	362.760	ml/mol	McGowan Calculated Property
Pc	1060.33	kPa	Joback Calculated Property
Inp	[3204.00; 3204.00]
Inp	3204.00		NIST
Inp	3204.00		NIST
Tboil	727.14	K	Relay (1.0) Calculated Property
Tc	977.33	K	Relay (1.0) Calculated Property
Tfus	356.27	K	Relay (1.0) Calculated Property
Vc	1.332	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1213.82; 1289.20]	J/mol×K	[1023.08; 1253.07]
Cp,gas	1213.82	J/mol×K	1023.08	Joback Calculated Property
Cp,gas	1229.45	J/mol×K	1061.41	Joback Calculated Property
Cp,gas	1243.72	J/mol×K	1099.74	Joback Calculated Property
Cp,gas	1256.74	J/mol×K	1138.08	Joback Calculated Property
Cp,gas	1268.60	J/mol×K	1176.41	Joback Calculated Property
Cp,gas	1279.39	J/mol×K	1214.74	Joback Calculated Property
Cp,gas	1289.20	J/mol×K	1253.07	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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