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

InChI

InChI=1S/C19H29NO3/c1-3-5-6-9-15-23-19(22)14-10-13-18(21)20-17-12-8-7-11-16(17)4-2/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3,(H,20,21)

InChI Key

KRBWBFKBYMQGFW-UHFFFAOYSA-N

Formula

C19H29NO3

SMILES

CCCCCCOC(=O)CCCC(=O)Nc1ccccc1CC

Molecular Weight¹

319.44

• 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	0.9518		Relay (1.0) Calculated Property
ΔfG°	-61.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-666.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.10	kJ/mol	Joback Calculated Property
ΔvapH°	100.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-4.30		Relay (1.0) Calculated Property
logPoct/wat	4.481		Crippen Calculated Property
McVol	273.800	ml/mol	McGowan Calculated Property
Pc	1474.75	kPa	Joback Calculated Property
Inp	[2933.00; 2933.00]
Inp	2933.00		NIST
Inp	2933.00		NIST
Tboil	639.93	K	Relay (1.0) Calculated Property
Tc	871.06	K	Relay (1.0) Calculated Property
Tfus	334.15	K	Relay (1.0) Calculated Property
Vc	1.006	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[848.95; 926.98]	J/mol×K	[846.11; 1048.85]
Cp,gas	848.95	J/mol×K	846.11	Joback Calculated Property
Cp,gas	864.52	J/mol×K	879.90	Joback Calculated Property
Cp,gas	879.02	J/mol×K	913.69	Joback Calculated Property
Cp,gas	892.47	J/mol×K	947.48	Joback Calculated Property
Cp,gas	904.93	J/mol×K	981.27	Joback Calculated Property
Cp,gas	916.42	J/mol×K	1015.06	Joback Calculated Property
Cp,gas	926.98	J/mol×K	1048.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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