Chemical Properties of 2-Amino-6-methylbenzoic acid (CAS 4389-50-8)

InChI

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

InChI Key

XHYVBIXKORFHFM-UHFFFAOYSA-N

Formula

C8H9NO2

SMILES

Cc1cccc(N)c1C(=O)O

Molecular Weight¹

151.16

CAS

4389-50-8

Other Names

• 6-Amino-o-toluic acid
• Benzoic acid, 2-amino-6-methyl-

• 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	27.49	kJ/mol	398.70	NIST
ΔsubH	114.70 ± 1.20	kJ/mol	347.00	NIST

Similar Compounds

Find more compounds similar to 2-Amino-6-methylbenzoic acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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