Chemical Properties of 5-Bromovaleric acid, 4-cyanophenyl ester

5-Bromovaleric acid, 4-cyanophenyl ester

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InChI
InChI=1S/C12H12BrNO2/c13-8-2-1-3-12(15)16-11-6-4-10(9-14)5-7-11/h4-7H,1-3,8H2
InChI Key
YBQWTJJVCQTMTG-UHFFFAOYSA-N
Formula
C12H12BrNO2
SMILES
N#Cc1ccc(OC(=O)CCCCBr)cc1
Molecular Weight1
282.13
Sources

Physical Properties

Property Value Unit Source
Δf 66.52 kJ/mol Joback Calculated Property
Δfgas -119.54 kJ/mol Joback Calculated Property
Δfus 30.07 kJ/mol Joback Calculated Property
Δvap 71.31 kJ/mol Joback Calculated Property
logPoct/wat 3.03 Crippen Calculated Property
Pc 2592.49 kPa Joback Calculated Property
Tboil 750.15 K Joback Calculated Property
Tc 980.70 K Joback Calculated Property
Tfus 460.89 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 453.01 J/mol×K 750.15 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 4
>C=O (nonring) 1
-Br 1

Similar Compounds

Valeric acid, 4-cyanophenyl ester. 6-Bromohexanoic acid, 4-cyanophenyl ester. Glutaric acid, di(4-cyanophenyl) ester. 5-Chlorovaleric acid, 4-cyanophenyl ester. Octanoic acid, 4-cyanophenyl ester. Butyric acid, ester with p-hydroxybenzonitrile. Cyclobutanecarboxylic acid, 4-cyanophenyl ester. Cyclopropanecarboxylic acid, 4-cyanophenyl ester. 3-Cyclopentylpropionic acid, 4-cyanophenyl ester. 2-Ethylbutyric acid, 4-cyanophenyl ester. Succinic acid, di(4-cyanophenyl) ester. Glutaric acid, 4-cyanophenyl ethyl ester. Sebacic acid, 4-cyanophenyl ethyl ester. Adipic acid, di-p-tolyl ester. Sebacic acid, 4-cyanophenyl propyl ester.

Find more compounds similar to 5-Bromovaleric acid, 4-cyanophenyl ester.

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