Chemical Properties of 3-Amino-4-methoxybenzoic acid (CAS 2840-26-8)

InChI

InChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)

InChI Key

FDGAEAYZQQCBRN-UHFFFAOYSA-N

Formula

C8H8NO3

SMILES

COc1ccc(C(=O)O)cc1N

Molecular Weight¹

166.15

CAS

2840-26-8

Other Names

• 3-Amino-4-anisic acid
• 3-Amino-4-methoxybenzoic
• 3-Amino-p-anisic acid
• Benzoic acid, 3-amino-4-methoxy-
• Kyselina 3-amino-4-methoxybenzoova
• p-Anisic acid, 3-amino-

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.44; 372.70]	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			2.69000e+01
Coefficient B			6.15420e-01
Coefficient C			-3.13520e-04
Coefficient D			4.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.44	J/mol×K	273.00	Calculated Property
Cp,gas	207.33	J/mol×K	353.78	Calculated Property
Cp,gas	238.73	J/mol×K	434.56	Calculated Property
Cp,gas	266.79	J/mol×K	515.33	Calculated Property
Cp,gas	291.65	J/mol×K	596.11	Calculated Property
Cp,gas	313.44	J/mol×K	676.89	Calculated Property
Cp,gas	332.30	J/mol×K	757.67	Calculated Property
Cp,gas	348.37	J/mol×K	838.44	Calculated Property
Cp,gas	361.79	J/mol×K	919.22	Calculated Property
Cp,gas	372.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Amino-4-methoxybenzoic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermodynamic Study on the Sublimation of Five Aminomethoxybenzoic Acids
• 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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