Chemical Properties of 4-(Diethylamino)benzoic acid (CAS 5429-28-7)

InChI

InChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)

InChI Key

LNYTUARMNSFFBE-UHFFFAOYSA-N

Formula

C11H15NO2

SMILES

CCN(CC)c1ccc(C(=O)O)cc1

Molecular Weight¹

193.24

CAS

5429-28-7

Other Names

• 4-N,N-Diethylaminobenzoic acid
• Benzoic acid, 4-(diethylamino)-
• p-Diethylaminobenzoic acid

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.26; 514.07]	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			-3.28080e+01
Coefficient B			1.08514e+00
Coefficient C			-7.23960e-04
Coefficient D			1.85700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.26	J/mol×K	273.00	Calculated Property
Cp,gas	268.70	J/mol×K	353.78	Calculated Property
Cp,gas	317.27	J/mol×K	434.56	Calculated Property
Cp,gas	359.55	J/mol×K	515.33	Calculated Property
Cp,gas	396.13	J/mol×K	596.11	Calculated Property
Cp,gas	427.60	J/mol×K	676.89	Calculated Property
Cp,gas	454.54	J/mol×K	757.67	Calculated Property
Cp,gas	477.54	J/mol×K	838.44	Calculated Property
Cp,gas	497.19	J/mol×K	919.22	Calculated Property
Cp,gas	514.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-(Diethylamino)benzoic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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