Chemical Properties of Benzoic acid, 4-cyano-, phenyl ester (CAS 17847-33-5)

Benzoic acid, 4-cyano-, phenyl ester

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InChI
InChI=1S/C14H9NO2/c15-10-11-6-8-12(9-7-11)14(16)17-13-4-2-1-3-5-13/h1-9H
InChI Key
UTARNPHXZJRNPC-UHFFFAOYSA-N
Formula
C14H9NO2
SMILES
N#Cc1ccc(C(=O)Oc2ccccc2)cc1
Molecular Weight1
223.23
CAS
17847-33-5
Other Names
  • 4-Cyanobenzoic acid, phenyl ester
  • Benzoic acid, p-cyano-, phenyl ester
  • Phenyl 4-cyanobenzoate
  • Phenyl p-cyanobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf 181.45 kJ/mol Joback Calculated Property
Δfgas 49.38 kJ/mol Joback Calculated Property
Δfus 24.00 kJ/mol Joback Calculated Property
Δvap 71.61 kJ/mol Joback Calculated Property
logPoct/wat 2.78 Crippen Calculated Property
Pc 2787.66 kPa Joback Calculated Property
Tboil 756.43 K Joback Calculated Property
Tc 1010.63 K Joback Calculated Property
Tfus 450.05 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 433.40 J/mol×K 756.43 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-methyl-, phenyl ester. P-toluic acid, 4-cyanophenyl ester. Diphenyl terephthalate. p-Toluic acid, 4-benzyloxyphenyl ester. P-toluic acid, 4-methoxyphenyl ester. Benzoic acid, phenyl ester. 4-Cyanobenzoic acid, 2-methylphenyl ester. p-Toluylic acid, 3-methylphenyl ester. P-anisic acid, 4-cyanophenyl ester. 1,4-Benzenediol, monobenzoate. 4-Cyanobenzoic acid, 2-chlorophenyl ester. 4-Ethylbenzoic acid, 4-methoxyphenyl ester. 4-Ethylbenzoic acid, 4-benzyloxyphenyl ester. Terephthalic acid, di(3-methoxyphenyl) ester. P-toluic acid, 2-naphthyl ester.

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