Chemical Properties of 2-Acetamido-6-chlorobenzoic acid (CAS 19407-42-2)

InChI

InChI=1S/C9H8ClNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)

InChI Key

VFHSJTHAMJFUCK-UHFFFAOYSA-N

Formula

C9H8ClNO3

SMILES

CC(=O)Nc1cccc(Cl)c1C(=O)O

Molecular Weight¹

213.62

CAS

19407-42-2

Other Names

• Benzoic acid, 2-(acetylamino)-6-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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.47; 399.11]	J/mol×K	[729.14; 962.73]
Cp,gas	356.47	J/mol×K	729.14	Joback Calculated Property
Cp,gas	365.20	J/mol×K	768.07	Joback Calculated Property
Cp,gas	373.24	J/mol×K	807.00	Joback Calculated Property
Cp,gas	380.60	J/mol×K	845.93	Joback Calculated Property
Cp,gas	387.35	J/mol×K	884.87	Joback Calculated Property
Cp,gas	393.50	J/mol×K	923.80	Joback Calculated Property
Cp,gas	399.11	J/mol×K	962.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Acetamido-6-chlorobenzoic 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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