Chemical Properties of O-toluic acid, 4-cyanophenyl ester

O-toluic acid, 4-cyanophenyl ester

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InChI
InChI=1S/C15H11NO2/c1-11-4-2-3-5-14(11)15(17)18-13-8-6-12(10-16)7-9-13/h2-9H,1H3
InChI Key
FSXGXLHUUDLHFG-UHFFFAOYSA-N
Formula
C15H11NO2
SMILES
Cc1ccccc1C(=O)Oc1ccc(C#N)cc1
Molecular Weight1
237.25
Other Names
  • o-Toluylic acid, 4-cyanophenyl ester
Sources

Physical Properties

Property Value Unit Source
Δf 180.24 kJ/mol Joback Calculated Property
Δfgas 17.27 kJ/mol Joback Calculated Property
Δfus 26.20 kJ/mol Joback Calculated Property
Δvap 74.49 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 2487.55 kPa Joback Calculated Property
Tboil 784.29 K Joback Calculated Property
Tc 1033.83 K Joback Calculated Property
Tfus 473.84 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 483.85 J/mol×K 784.29 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2-methyl-, 4-benzyloxyphenyl ester. o-Toluic acid, 4-methoxyphenyl ester. o-Toluic acid, 3-methylphenyl ester. o-Toluic acid, 3,5-dimethylphenyl ester. 1,2-Benzenedicarboxylic acid, diphenyl ester. o-Toluic acid, 2-naphthyl ester. P-toluic acid, 4-cyanophenyl ester. P-anisic acid, 4-cyanophenyl ester. 1-(4-Tert-butylphenyl) 2-phenyl phthalate. m-Toluic acid, 4-cyanophenyl ester. Bis-(3-benzoxyphenyl) phthalate. Benzoic acid, 4-methylphenyl ester. 2-(Phenoxymethyl)benzoic acid. O-toluic acid, 3,4-dichlorophenyl ester. O-toluic acid, 4-nitrophenyl ester.

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