Chemical Properties of Glutaric acid, monoamide, N-(3-methylphenyl)-, octyl ester

InChI

InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-15-24-20(23)14-10-13-19(22)21-18-12-9-11-17(2)16-18/h9,11-12,16H,3-8,10,13-15H2,1-2H3,(H,21,22)

InChI Key

PSJDCANTFFLPHC-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

CCCCCCCCOC(=O)CCCC(=O)Nc1cccc(C)c1

Molecular Weight¹

333.46

• 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	0.9989		Relay (1.0) Calculated Property
ΔfG°	-53.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.69	kJ/mol	Joback Calculated Property
ΔvapH°	105.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-5.06		Relay (1.0) Calculated Property
logPoct/wat	5.008		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1371.74	kPa	Joback Calculated Property
Inp	[3011.00; 3011.00]
Inp	3011.00		NIST
Inp	3011.00		NIST
Tboil	659.03	K	Relay (1.0) Calculated Property
Tc	887.99	K	Relay (1.0) Calculated Property
Tfus	336.84	K	Relay (1.0) Calculated Property
Vc	1.065	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[907.99; 986.96]	J/mol×K	[868.99; 1072.63]
Cp,gas	907.99	J/mol×K	868.99	Joback Calculated Property
Cp,gas	923.79	J/mol×K	902.93	Joback Calculated Property
Cp,gas	938.49	J/mol×K	936.87	Joback Calculated Property
Cp,gas	952.12	J/mol×K	970.81	Joback Calculated Property
Cp,gas	964.71	J/mol×K	1004.75	Joback Calculated Property
Cp,gas	976.31	J/mol×K	1038.69	Joback Calculated Property
Cp,gas	986.96	J/mol×K	1072.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(3-methylphenyl)-, octyl ester.

Sources

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

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