Chemical Properties of 4-Acetylbenzoic acid (CAS 586-89-0)

InChI

InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)

InChI Key

QBHDSQZASIBAAI-UHFFFAOYSA-N

Formula

C9H8O3

SMILES

CC(=O)c1ccc(C(=O)O)cc1

Molecular Weight¹

164.16

CAS

586-89-0

Other Names

• Benzoic acid, 4-acetyl-
• p-carboxyacetophenone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• I_np : Non-polar retention indices.
• 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	[291.16; 337.06]	J/mol×K	[636.90; 848.29]
Cp,gas	291.16	J/mol×K	636.90	Joback Calculated Property
Cp,gas	300.25	J/mol×K	672.13	Joback Calculated Property
Cp,gas	308.74	J/mol×K	707.36	Joback Calculated Property
Cp,gas	316.64	J/mol×K	742.59	Joback Calculated Property
Cp,gas	323.98	J/mol×K	777.82	Joback Calculated Property
Cp,gas	330.78	J/mol×K	813.05	Joback Calculated Property
Cp,gas	337.06	J/mol×K	848.29	Joback Calculated Property
η	[0.0000916; 0.0025185]	Pa×s	[390.81; 636.90]
η	0.0025185	Pa×s	390.81	Joback Calculated Property
η	0.0011152	Pa×s	431.82	Joback Calculated Property
η	0.0005688	Pa×s	472.84	Joback Calculated Property
η	0.0003230	Pa×s	513.86	Joback Calculated Property
η	0.0001994	Pa×s	554.87	Joback Calculated Property
η	0.0001316	Pa×s	595.88	Joback Calculated Property
η	0.0000916	Pa×s	636.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Acetylbenzoic acid.

Mixtures

• 4-Acetylbenzoic acid + Water

Sources

• Crippen Method
• Crippen Method
• Determination and modeling of aqueous solubility of 4-position substituted benzoic acid compounds in a high-temperature solution
• Joback Method
• McGowan Method
• NIST Webbook

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