Chemical Properties of 2-Amino-3-methylbenzoic acid (CAS 4389-45-1)

InChI

InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)

InChI Key

WNAJXPYVTFYEST-UHFFFAOYSA-N

Formula

C8H9NO2

SMILES

Cc1cccc(C(=O)O)c1N

Molecular Weight¹

151.16

CAS

4389-45-1

Other Names

• 3-Methyl-2-aminobenzoic acid
• 3-methylanthranil acid
• 3-methylanthranilic acid
• Benzoic acid, 2-amino-3-methyl-
• m-Toluic acid, 2-amino-

• 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_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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.02; 336.30]	J/mol×K	[637.32; 875.08]
Cp,gas	287.02	J/mol×K	637.32	Joback Calculated Property
Cp,gas	296.87	J/mol×K	676.95	Joback Calculated Property
Cp,gas	306.02	J/mol×K	716.57	Joback Calculated Property
Cp,gas	314.50	J/mol×K	756.20	Joback Calculated Property
Cp,gas	322.35	J/mol×K	795.83	Joback Calculated Property
Cp,gas	329.60	J/mol×K	835.45	Joback Calculated Property
Cp,gas	336.30	J/mol×K	875.08	Joback Calculated Property
ΔfusH	27.30	kJ/mol	447.40	NIST
ΔsubH	105.80 ± 0.80	kJ/mol	350.00	NIST

Similar Compounds

Find more compounds similar to 2-Amino-3-methylbenzoic acid.

Mixtures

• 2-Amino-3-methylbenzoic acid + Methyl Alcohol
• Ethanol + 2-Amino-3-methylbenzoic acid
• 1-Propanol + 2-Amino-3-methylbenzoic acid
• 2-Propanol + 2-Amino-3-methylbenzoic acid
• 2-Amino-3-methylbenzoic acid + 1-Butanol
• 2-Butanone + 2-Amino-3-methylbenzoic acid
• 2-Amino-3-methylbenzoic acid + Acetone
• 2-Amino-3-methylbenzoic acid + 1,4-Dioxane
• Acetonitrile + 2-Amino-3-methylbenzoic acid
• 2-Amino-3-methylbenzoic acid + Ethyl Acetate
• Toluene + 2-Amino-3-methylbenzoic acid
• 2-Amino-3-methylbenzoic acid + Cyclohexane

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility, Model Correlation, and Solvent Effect of 2-Amino-3-methylbenzoic Acid in 12 Pure Solvents
• Joback Method
• McGowan Method
• NIST Webbook

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