Chemical Properties of Glutaric acid, monoamide, N-(4-methylbenzyl)-, ethyl ester

InChI

InChI=1S/C15H21NO3/c1-3-19-15(18)6-4-5-14(17)16-11-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3,(H,16,17)

InChI Key

LDENJUZMWHFDCI-UHFFFAOYSA-N

Formula

C15H21NO3

SMILES

CCOC(=O)CCCC(=O)NCc1ccc(C)cc1

Molecular Weight¹

263.33

• 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	0.7631		Relay (1.0) Calculated Property
ΔfG°	-95.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-584.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.74	kJ/mol	Joback Calculated Property
ΔvapH°	96.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-2.61		Relay (1.0) Calculated Property
logPoct/wat	2.345		Crippen Calculated Property
McVol	217.440	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[2249.00; 2249.00]
Inp	2249.00		NIST
Inp	2249.00		NIST
Tboil	624.18	K	Relay (1.0) Calculated Property
Tc	827.29	K	Relay (1.0) Calculated Property
Tfus	329.55	K	Relay (1.0) Calculated Property
Vc	0.797	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[621.45; 694.55]	J/mol×K	[754.59; 960.29]
Cp,gas	621.45	J/mol×K	754.59	Joback Calculated Property
Cp,gas	635.94	J/mol×K	788.87	Joback Calculated Property
Cp,gas	649.47	J/mol×K	823.16	Joback Calculated Property
Cp,gas	662.07	J/mol×K	857.44	Joback Calculated Property
Cp,gas	673.77	J/mol×K	891.72	Joback Calculated Property
Cp,gas	684.59	J/mol×K	926.01	Joback Calculated Property
Cp,gas	694.55	J/mol×K	960.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(4-methylbenzyl)-, ethyl ester.

Sources

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

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