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-

• 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_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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[284.29; 330.01]	J/mol×K	[637.66; 853.80]
Cp,gas	284.29	J/mol×K	637.66	Joback Calculated Property
Cp,gas	293.26	J/mol×K	673.68	Joback Calculated Property
Cp,gas	301.67	J/mol×K	709.71	Joback Calculated Property
Cp,gas	309.53	J/mol×K	745.73	Joback Calculated Property
Cp,gas	316.86	J/mol×K	781.76	Joback Calculated Property
Cp,gas	323.68	J/mol×K	817.78	Joback Calculated Property
Cp,gas	330.01	J/mol×K	853.80	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
• Isopropyl Alcohol + 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

• 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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