Chemical Properties of 2-Amino-4-chlorobenzoic acid (CAS 89-77-0)

InChI

InChI=1S/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)

InChI Key

JYYLQSCZISREGY-UHFFFAOYSA-N

Formula

C7H6ClNO2

SMILES

Nc1cc(Cl)ccc1C(=O)O

Molecular Weight¹

171.58

CAS

89-77-0

Other Names

• 4-Chloro anthranilic acid
• 4-chloroanthranil acid
• 4-chloroanthranilic acid
• Anthranilic acid, 4-chloro-
• Benzoic acid, 2-amino-4-chloro-

• 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).
• 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, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.22; 310.88]	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			1.52000e+01
Coefficient B			5.90400e-01
Coefficient C			-3.90520e-04
Coefficient D			9.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.22	J/mol×K	273.00	Calculated Property
Cp,gas	179.44	J/mol×K	353.78	Calculated Property
Cp,gas	205.88	J/mol×K	434.56	Calculated Property
Cp,gas	228.85	J/mol×K	515.33	Calculated Property
Cp,gas	248.67	J/mol×K	596.11	Calculated Property
Cp,gas	265.62	J/mol×K	676.89	Calculated Property
Cp,gas	280.01	J/mol×K	757.67	Calculated Property
Cp,gas	292.15	J/mol×K	838.44	Calculated Property
Cp,gas	302.34	J/mol×K	919.22	Calculated Property
Cp,gas	310.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Amino-4-chlorobenzoic acid.

Mixtures

• 2-Amino-4-chlorobenzoic acid + 2-Pyrrolidinone, 1-methyl-
• 2-Amino-4-chlorobenzoic acid + Ethanol
• 1-Propanol + 2-Amino-4-chlorobenzoic acid
• 2-Propanol + 2-Amino-4-chlorobenzoic acid
• 2-Amino-4-chlorobenzoic acid + 1-Butanol
• 2-Amino-4-chlorobenzoic acid + Ethyl Acetate
• Acetonitrile + 2-Amino-4-chlorobenzoic acid
• Toluene + 2-Amino-4-chlorobenzoic acid
• 2-Amino-4-chlorobenzoic acid + Benzene, ethyl-
• 2-Amino-4-chlorobenzoic acid + Acetone
• 2-Amino-4-chlorobenzoic acid + 1,4-Dioxane

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
• Solubility determination and thermodynamic modelling for 2-amino-4-chlorobenzoic acid in eleven organic solvents from T = (278.15 to 313.15) K and mixing properties of solutions
• Solubility Measurement and Modeling of 2-Amino-4,6-dichoropyrimidine in Ten Pure Solvents and (Ethyl Acetate + Ethanol) Solvent Mixtures
• Joback Method
• McGowan Method
• NIST Webbook

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