Chemical Properties of Benzoic acid, 4-(dimethylamino)-, methyl ester

InChI

InChI=1S/C10H13NO2/c1-11(2)9-6-4-8(5-7-9)10(12)13-3/h4-7H,1-3H3

InChI Key

DBQGARDMYOMOOS-UHFFFAOYSA-N

Formula

C10H13NO2

SMILES

COC(=O)c1ccc(N(C)C)cc1

Molecular Weight¹

179.22

Other Names

• 4-(CH3)2NC6H4COOCH3
• 4-(dimethylamino)benzoic acid, methyl ester
• benzoic acid, p-(dimethylamino)-, methyl ester
• methyl 4-(N,N-dimethylamino)benzoate
• methyl 4-(dimethylamino)benzoate
• methyl p-(dimethylamino)benzoate

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (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

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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.76; 459.81]	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			-1.10900e+01
Coefficient B			8.84560e-01
Coefficient C			-5.02360e-04
Coefficient D			8.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.76	J/mol×K	273.00	Calculated Property
Cp,gas	242.90	J/mol×K	353.78	Calculated Property
Cp,gas	285.71	J/mol×K	434.56	Calculated Property
Cp,gas	323.48	J/mol×K	515.33	Calculated Property
Cp,gas	356.48	J/mol×K	596.11	Calculated Property
Cp,gas	385.00	J/mol×K	676.89	Calculated Property
Cp,gas	409.31	J/mol×K	757.67	Calculated Property
Cp,gas	429.69	J/mol×K	838.44	Calculated Property
Cp,gas	446.43	J/mol×K	919.22	Calculated Property
Cp,gas	459.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(dimethylamino)-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Vapor Pressures and Phase Diagrams of Two Methyl Esters of Substituted Benzoic Acids
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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