Chemical Properties of Glutaric acid, monoamide, N-(2-methoxyphenyl)-, butyl ester

InChI

InChI=1S/C16H23NO4/c1-3-4-12-21-16(19)11-7-10-15(18)17-13-8-5-6-9-14(13)20-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,18)

InChI Key

BKTWYZWLWUDLMO-UHFFFAOYSA-N

Formula

C16H23NO4

SMILES

CCCCOC(=O)CCCC(=O)Nc1ccccc1OC

Molecular Weight¹

293.36

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.8942		Relay (1.0) Calculated Property
ΔfH°gas	-715.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.10	kJ/mol	Joback Calculated Property
ΔvapH°	97.54	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-2.91		Relay (1.0) Calculated Property
logPoct/wat	3.147		Crippen Calculated Property
McVol	237.400	ml/mol	McGowan Calculated Property
Pc	1774.35	kPa	Joback Calculated Property
Inp	[2654.00; 2654.00]
Inp	2654.00		NIST
Inp	2654.00		NIST
Tboil	633.52	K	Relay (1.0) Calculated Property
Tc	856.76	K	Relay (1.0) Calculated Property
Tfus	336.32	K	Relay (1.0) Calculated Property
Vc	0.871	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.05; 775.74]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.57960e+01
Coefficient B			1.31564e+00
Coefficient C			-6.35060e-04
Coefficient D			6.93600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	339.05	J/mol×K	273.00	Calculated Property
Cp,gas	414.83	J/mol×K	353.78	Calculated Property
Cp,gas	483.28	J/mol×K	434.56	Calculated Property
Cp,gas	544.63	J/mol×K	515.33	Calculated Property
Cp,gas	599.09	J/mol×K	596.11	Calculated Property
Cp,gas	646.88	J/mol×K	676.89	Calculated Property
Cp,gas	688.22	J/mol×K	757.67	Calculated Property
Cp,gas	723.33	J/mol×K	838.44	Calculated Property
Cp,gas	752.43	J/mol×K	919.22	Calculated Property
Cp,gas	775.74	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(2-methoxyphenyl)-, butyl 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.
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