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

Benzoic acid, 2-(4-methylbenzoyl)-

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

Physical Properties

Property Value Unit Source
Δf -113.68 kJ/mol Joback Calculated Property
Δfgas -280.20 kJ/mol Joback Calculated Property
Δfus 29.20 kJ/mol Joback Calculated Property
Δvap 85.03 kJ/mol Joback Calculated Property
logPoct/wat 2.92 Crippen Calculated Property
Pc 3059.17 kPa Joback Calculated Property
Tboil 805.84 K Joback Calculated Property
Tc 1035.00 K Joback Calculated Property
Tfus 413.17 ± 0.30 K NIST
Tfus 413.45 ± 0.20 K NIST
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 501.16 J/mol×K 805.84 Joback Calculated Property
η 0.00 Pa×s 805.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-OH (alcohol) 1
>C=O (nonring) 2
-CH3 1
=CH- (ring) 8

Similar Compounds

Benzoic acid, 2-benzoyl-. Benzoic acid, 2-benzoyl-, methyl ester. O-benzoylbenzoic acid, ethyl ester. Benzoic acid, o-(2-hydroxybenzoyl)-. O-benzoyl benzoic acid, 2-ethoxy-ethyl ether. N-butyl-o-benzoyl benzoate. Alpha-phenyl-o-toluic acid. Norephedrine-o-(p-hydroxybenzoyl)benzoate. 2'-Carboxy-2-hydroxy-4-methoxybenzophenone. O-dibenzoylbenzene. 9,10-Anthracenedione, 2-methyl-. 9,10-Anthraquinone. 2,4-DIMETHYLBENZOPHENONE. Benzophenone, 2,4,6-trimethyl-. Anthrone.

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