Chemical Properties of 3-Bromobenzoic acid, 4-cyanophenyl ester

3-Bromobenzoic acid, 4-cyanophenyl ester

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InChI
InChI=1S/C14H8BrNO2/c15-12-3-1-2-11(8-12)14(17)18-13-6-4-10(9-16)5-7-13/h1-8H
InChI Key
ZMVITGJZOFYUBU-UHFFFAOYSA-N
Formula
C14H8BrNO2
SMILES
N#Cc1ccc(OC(=O)c2cccc(Br)c2)cc1
Molecular Weight1
302.12
Sources

Physical Properties

Property Value Unit Source
Δf 186.14 kJ/mol Joback Calculated Property
Δfgas 64.24 kJ/mol Joback Calculated Property
Δfus 28.90 kJ/mol Joback Calculated Property
Δvap 78.70 kJ/mol Joback Calculated Property
logPoct/wat 3.54 Crippen Calculated Property
Pc 2953.69 kPa Joback Calculated Property
Tboil 827.57 K Joback Calculated Property
Tc 1091.43 K Joback Calculated Property
Tfus 522.37 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 459.21 J/mol×K 827.57 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Bromobenzoic acid, 4-chlorophenyl ester. 3-Bromobenzoic acid, 3,5-dimethylphenyl ester. 3-Bromobenzoic acid, 2-naphthyl ester. 2-Bromobenzoic acid, 4-cyanophenyl ester. 3-Bromobenzoic acid, 4-biphenyl ester. 3-Bromobenzoic acid, 2-chlorophenyl ester. P-toluic acid, 4-cyanophenyl ester. P-anisic acid, 4-cyanophenyl ester. 3-Bromobenzoic acid, 3,4-dichlorophenyl ester. Benzoic acid, 4-methylphenyl ester. 3-Chlorobenzoic acid, 4-cyanophenyl ester. m-Toluic acid, 4-cyanophenyl ester. 3-Bromobenzoic acid, 2-bromo-4-fluorophenyl ester. 4-Trifluoromethylbenzoic acid, 4-cyanophenyl ester. 4-Bromobenzoic acid, phenyl ester.

Find more compounds similar to 3-Bromobenzoic acid, 4-cyanophenyl ester.

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