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

InChI

InChI=1S/C15H21NO3/c1-3-12-8-5-6-9-13(12)16-14(17)10-7-11-15(18)19-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,17)

InChI Key

MSRCILKOKDXQAZ-UHFFFAOYSA-N

Formula

C15H21NO3

SMILES

CCOC(=O)CCCC(=O)Nc1ccccc1CC

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	0.7876		Relay (1.0) Calculated Property
ΔfG°	-95.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-586.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.74	kJ/mol	Joback Calculated Property
ΔvapH°	91.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-2.85		Relay (1.0) Calculated Property
logPoct/wat	2.921		Crippen Calculated Property
McVol	217.440	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[2520.00; 2520.00]
Inp	2520.00		NIST
Inp	2520.00		NIST
Tboil	610.87	K	Relay (1.0) Calculated Property
Tc	836.01	K	Relay (1.0) Calculated Property
Tfus	334.59	K	Relay (1.0) Calculated Property
Vc	0.793	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-(2-ethylphenyl)-, ethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.