Chemical Properties of Benzoic acid, 4-butyl-, 4-cyanophenyl ester (CAS 38690-77-6)

Benzoic acid, 4-butyl-, 4-cyanophenyl ester

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InChI
InChI=1S/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3
InChI Key
XQRFASOUJIKXRE-UHFFFAOYSA-N
Formula
C18H17NO2
SMILES
CCCCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1
Molecular Weight1
279.33
CAS
38690-77-6
Other Names
  • 4-Butylbenzoic acid, 4-cyanophenyl ester
  • 4-Cyanophenyl 4-butylbenzoate
  • p-Cyanophenyl p-butylbenzoate
Sources

Physical Properties

Property Value Unit Source
Δf 205.50 kJ/mol Joback Calculated Property
Δfgas -44.65 kJ/mol Joback Calculated Property
Δfus 33.97 kJ/mol Joback Calculated Property
Δvap 81.17 kJ/mol Joback Calculated Property
logPoct/wat 4.12 Crippen Calculated Property
Pc 1901.92 kPa Joback Calculated Property
Tboil 852.93 K Joback Calculated Property
Tc 1089.64 K Joback Calculated Property
Tfus 507.65 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 646.65 J/mol×K 852.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
-CH3 1
=CH- (ring) 8
=C< (ring) 4
-CH2- 3
>C=O (nonring) 1

Similar Compounds

4-Butylbenzoic acid, 4-benzyloxyphenyl ester. 4-Butylbenzoic acid, 4-methoxyphenyl ester. P-toluic acid, 4-cyanophenyl ester. 4-Butylbenzoic acid, 3-methylphenyl ester. 4-Butylbenzoic acid, 4-chlorophenyl ester. 4-Butylbenzoic acid, 3,5-dimethylphenyl ester. 4-Butylbenzoic acid, 2-naphthyl ester. 4-Butylbenzoic acid, 4-biphenyl ester. 4-Ethylbenzoic acid, 4-benzyloxyphenyl ester. 4-Ethylbenzoic acid, 4-methoxyphenyl ester. Benzoic acid, 4-isopropyl phenyl ester. P-anisic acid, 4-cyanophenyl ester. 4-Ethylbenzoic acid, 3-methylphenyl ester. Benzoic acid, 4-cyano-, phenyl ester. 4-Trifluoromethylbenzoic acid, 4-cyanophenyl ester.

Find more compounds similar to Benzoic acid, 4-butyl-, 4-cyanophenyl ester.

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