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

InChI

InChI=1S/C21H25NO3/c1-2-3-16-25-21(24)15-9-14-20(23)22-19-13-8-7-12-18(19)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H,22,23)

InChI Key

GUUMIVDYGCMINH-UHFFFAOYSA-N

Formula

C21H25NO3

SMILES

CCCCOC(=O)CCCC(=O)Nc1ccccc1-c1ccccc1

Molecular Weight¹

339.43

• 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	0.9099		Relay (1.0) Calculated Property
ΔfH°gas	-473.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.91	kJ/mol	Joback Calculated Property
ΔvapH°	116.15	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	4.806		Crippen Calculated Property
McVol	278.220	ml/mol	McGowan Calculated Property
Pc	1592.35	kPa	Joback Calculated Property
Inp	[2763.00; 2763.00]
Inp	2763.00		NIST
Inp	2763.00		NIST
Tboil	690.82	K	Relay (1.0) Calculated Property
Tc	949.22	K	Relay (1.0) Calculated Property
Tfus	347.09	K	Relay (1.0) Calculated Property
Vc	1.005	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	[372.45; 896.67]	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			-3.81540e+01
Coefficient B			1.77492e+00
Coefficient C			-1.04926e-03
Coefficient D			2.09160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.45	J/mol×K	273.00	Calculated Property
Cp,gas	467.71	J/mol×K	353.78	Calculated Property
Cp,gas	552.17	J/mol×K	434.56	Calculated Property
Cp,gas	626.50	J/mol×K	515.33	Calculated Property
Cp,gas	691.35	J/mol×K	596.11	Calculated Property
Cp,gas	747.39	J/mol×K	676.89	Calculated Property
Cp,gas	795.28	J/mol×K	757.67	Calculated Property
Cp,gas	835.68	J/mol×K	838.44	Calculated Property
Cp,gas	869.26	J/mol×K	919.22	Calculated Property
Cp,gas	896.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(2-biphenyl)-, 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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