Chemical Properties of Benzoic acid, 2-benzoyl-, methyl ester (CAS 606-28-0)

Benzoic acid, 2-benzoyl-, methyl ester

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InChI
InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3
InChI Key
NQSMEZJWJJVYOI-UHFFFAOYSA-N
Formula
C15H12O3
SMILES
COC(=O)c1ccccc1C(=O)c1ccccc1
Molecular Weight1
240.25
CAS
606-28-0
Other Names
  • 2-Benzoylbenzoic acid, methyl ester
  • Benzoic acid, o-benzoyl-, methyl ester
  • Methyl o-benzoylbenzoate
  • Methyl-2-benzoylbenzoate
  • o-(Methoxycarbonyl)benzophenone
  • o-Benzoylbenzoic acid methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -72.23 kJ/mol Joback Calculated Property
Δfgas -248.72 kJ/mol Joback Calculated Property
Δfus 26.68 kJ/mol Joback Calculated Property
Δvap 70.10 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 2764.26 kPa Joback Calculated Property
Tboil 625.00 K NIST
Tc 975.09 K Joback Calculated Property
Tfus 325.00 K NIST
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 480.02 J/mol×K 731.1 Joback Calculated Property
η 0.00 Pa×s 731.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 3
>C=O (nonring) 2
-CH3 1
=CH- (ring) 9

Similar Compounds

O-benzoylbenzoic acid, ethyl ester. O-benzoyl benzoic acid, 2-ethoxy-ethyl ether. N-butyl-o-benzoyl benzoate. Benzoic acid, 2-benzoyl-. Benzoic acid, 2-(4-methylbenzoyl)-. Benzoic acid, o-(2-hydroxybenzoyl)-. Norephedrine-o-(p-hydroxybenzoyl)benzoate. Alpha-phenyl-o-toluic acid. 2'-Carboxy-2-hydroxy-4-methoxybenzophenone. O-dibenzoylbenzene. 9,10-Anthraquinone. 5,12-Naphthacenedione. 6,13-Pentacenedione. Bis-(3-phthalyl anhydride) ketone. Anthrone.

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