Chemical Properties of Benzoic acid, 2-(4-methylbenzoyl)- (CAS 85-55-2)

InChI

InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)

InChI Key

ICQOWIXIHDDXDI-UHFFFAOYSA-N

Formula

C15H12O3

SMILES

Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1

Molecular Weight¹

240.25

CAS

85-55-2

Other Names

• Benzoic acid, o-(p-toluoyl)-
• o-(p-Toluoyl)benzoic acid
• 2-(p-Toluyl)benzoic acid
• 2-(4-Methylbenzoyl)benzoic acid
• 4'-Methylbenzophenone-2-carboxylic acid
• 2-(p-Toluoyl)benzoic acid
• p-Toluoyl-o-benzoic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-364.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.65	kJ/mol	Joback Calculated Property
ΔvapH°	116.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-3.43		Relay (1.0) Calculated Property
logPoct/wat	2.924		Crippen Calculated Property
McVol	183.700	ml/mol	McGowan Calculated Property
Pc	2847.48	kPa	Joback Calculated Property
Tboil	634.31	K	Relay (1.0) Calculated Property
Tc	936.69	K	Relay (1.0) Calculated Property
Tfus	[413.17; 413.45]	K
Tfus	413.17 ± 0.30	K	NIST
Tfus	413.45 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume, 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	[503.82; 559.36]	J/mol×K	[805.50; 1053.50]
Cp,gas	503.82	J/mol×K	805.50	Joback Calculated Property
Cp,gas	515.36	J/mol×K	846.83	Joback Calculated Property
Cp,gas	525.88	J/mol×K	888.17	Joback Calculated Property
Cp,gas	535.46	J/mol×K	929.50	Joback Calculated Property
Cp,gas	544.18	J/mol×K	970.83	Joback Calculated Property
Cp,gas	552.12	J/mol×K	1012.17	Joback Calculated Property
Cp,gas	559.36	J/mol×K	1053.50	Joback Calculated Property
η	[0.0001258; 0.0006130]	Pa×s	[547.22; 805.50]
η	0.0006130	Pa×s	547.22	Joback Calculated Property
η	0.0004277	Pa×s	590.27	Joback Calculated Property
η	0.0003133	Pa×s	633.31	Joback Calculated Property
η	0.0002388	Pa×s	676.36	Joback Calculated Property
η	0.0001880	Pa×s	719.41	Joback Calculated Property
η	0.0001521	Pa×s	762.45	Joback Calculated Property
η	0.0001258	Pa×s	805.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-(4-methylbenzoyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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