Chemical Properties of 2-Acetamino-5-bromobenzoic acid (CAS 38985-79-4)

InChI

InChI=1S/C9H8BrNO3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)

InChI Key

QVABAFHRLMDDLM-UHFFFAOYSA-N

Formula

C9H8BrNO3

SMILES

CC(=O)Nc1ccc(Br)cc1C(=O)O

Molecular Weight¹

258.07

CAS

38985-79-4

Other Names

• 2-Acetamido-5-bromobenzoic acid
• 2-Acetylamino-5-bromobenzoic acid
• Benzoic acid, 2-(acetylamino)-5-bromo-
• N-Acetyl-5-bromo-anthranilic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.71; 404.65]	J/mol×K	[757.87; 998.87]
Cp,gas	363.71	J/mol×K	757.87	Joback Calculated Property
Cp,gas	372.08	J/mol×K	798.04	Joback Calculated Property
Cp,gas	379.76	J/mol×K	838.20	Joback Calculated Property
Cp,gas	386.81	J/mol×K	878.37	Joback Calculated Property
Cp,gas	393.27	J/mol×K	918.54	Joback Calculated Property
Cp,gas	399.20	J/mol×K	958.71	Joback Calculated Property
Cp,gas	404.65	J/mol×K	998.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Acetamino-5-bromobenzoic 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
• Joback Method
• McGowan Method
• NIST Webbook

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