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

P-toluic acid, 4-cyanophenyl ester

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InChI
InChI=1S/C15H11NO2/c1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14/h2-9H,1H3
InChI Key
QIAWNOODTBZTGG-UHFFFAOYSA-N
Formula
C15H11NO2
SMILES
Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1
Molecular Weight1
237.25
Other Names
  • p-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
-CH3 1
=CH- (ring) 8
=C< (ring) 4
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 4-cyano-, phenyl ester. P-anisic acid, 4-cyanophenyl ester. Benzoic acid, 4-methylphenyl ester. Benzoic acid, 4-methyl-, phenyl ester. 4-Trifluoromethylbenzoic acid, 4-cyanophenyl ester. Diphenyl terephthalate. Benzoic acid, 4-butyl-, 4-cyanophenyl ester. m-Toluic acid, 4-cyanophenyl ester. P-toluic acid, 4-methoxyphenyl ester. p-Toluic acid, 4-benzyloxyphenyl ester. Benzoic acid, 4-methoxy-, phenyl ester. p-Toluylic acid, 3-methylphenyl ester. Benzoic acid, phenyl ester. 3-Chlorobenzoic acid, 4-cyanophenyl ester. O-toluic acid, 4-cyanophenyl ester.

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