Chemical Properties of O-benzoylbenzoic acid, ethyl ester (CAS 604-61-5)

O-benzoylbenzoic acid, ethyl ester

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InChI
InChI=1S/C16H14O3/c1-2-19-16(18)14-11-7-6-10-13(14)15(17)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChI Key
CGWFVEFHQWJOKI-UHFFFAOYSA-N
Formula
C16H14O3
SMILES
CCOC(=O)c1ccccc1C(=O)c1ccccc1
Molecular Weight1
254.28
CAS
604-61-5
Sources

Physical Properties

Property Value Unit Source
Δf -63.81 kJ/mol Joback Calculated Property
Δfgas -269.36 kJ/mol Joback Calculated Property
Δfus 29.27 kJ/mol Joback Calculated Property
Δvap 72.33 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 2505.01 kPa Joback Calculated Property
Tboil 753.98 K Joback Calculated Property
Tc 993.12 K Joback Calculated Property
Tfus 457.53 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 532.75 J/mol×K 753.98 Joback Calculated Property
η 0.00 Pa×s 753.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 2
=CH- (ring) 9
=C< (ring) 3
-CH2- 1
-CH3 1

Similar Compounds

O-benzoyl benzoic acid, 2-ethoxy-ethyl ether. N-butyl-o-benzoyl benzoate. Benzoic acid, 2-benzoyl-, methyl ester. Benzoic acid, 2-benzoyl-. Benzoic acid, 2-(4-methylbenzoyl)-. Benzoic acid, o-(2-hydroxybenzoyl)-. Norephedrine-o-(p-hydroxybenzoyl)benzoate. 2'-Carboxy-2-hydroxy-4-methoxybenzophenone. Alpha-phenyl-o-toluic acid. Phthalic acid, monoethyl ester. isobutyl hydrogen phthalate. 2-((2-Methoxyethoxy)carbonyl)benzoic acid. Diethyl phthalate. 1,2-Benzenedicarboxylic acid, ethyl methyl ester. 2-(Neopentyloxycarbonyl)benzoic acid.

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