Chemical Properties of 4-ACETYLBENZOIC ACID

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

Other Names

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

• ω : Acentric Factor.
• 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).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.25; 361.88]	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			-1.29400e+01
Coefficient B			7.43220e-01
Coefficient C			-4.83860e-04
Coefficient D			1.15460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.25	J/mol×K	273.00	Calculated Property
Cp,gas	194.55	J/mol×K	353.78	Calculated Property
Cp,gas	228.13	J/mol×K	434.56	Calculated Property
Cp,gas	257.37	J/mol×K	515.33	Calculated Property
Cp,gas	282.62	J/mol×K	596.11	Calculated Property
Cp,gas	304.25	J/mol×K	676.89	Calculated Property
Cp,gas	322.63	J/mol×K	757.67	Calculated Property
Cp,gas	338.11	J/mol×K	838.44	Calculated Property
Cp,gas	351.08	J/mol×K	919.22	Calculated Property
Cp,gas	361.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007015; 0.0002780]	Pa×s	[482.15; 608.10]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.17322e+01
Coefficient B			2.15517e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			482.15
Temperature range, max.			608.10
η	0.0007015	Pa×s	482.15	Calculated Property
η	0.0006184	Pa×s	496.14	Calculated Property
η	0.0005490	Pa×s	510.14	Calculated Property
η	0.0004904	Pa×s	524.13	Calculated Property
η	0.0004407	Pa×s	538.13	Calculated Property
η	0.0003981	Pa×s	552.12	Calculated Property
η	0.0003615	Pa×s	566.11	Calculated Property
η	0.0003298	Pa×s	580.11	Calculated Property
η	0.0003022	Pa×s	594.10	Calculated Property
η	0.0002780	Pa×s	608.10	Calculated Property

Similar Compounds

Find more compounds similar to 4-ACETYLBENZOIC ACID.

Mixtures

• 4-ACETYLBENZOIC ACID + Water

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• 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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