Chemical Properties of 6-Bromohexanoic acid, 4-cyanophenyl ester

6-Bromohexanoic acid, 4-cyanophenyl ester

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InChI
InChI=1S/C13H14BrNO2/c14-9-3-1-2-4-13(16)17-12-7-5-11(10-15)6-8-12/h5-8H,1-4,9H2
InChI Key
DWYXEURUXKFTDN-UHFFFAOYSA-N
Formula
C13H14BrNO2
SMILES
N#Cc1ccc(OC(=O)CCCCCBr)cc1
Molecular Weight1
296.16
Sources

Physical Properties

Property Value Unit Source
Δf 74.94 kJ/mol Joback Calculated Property
Δfgas -140.18 kJ/mol Joback Calculated Property
Δfus 32.66 kJ/mol Joback Calculated Property
Δvap 73.54 kJ/mol Joback Calculated Property
logPoct/wat 3.42 Crippen Calculated Property
Pc 2356.49 kPa Joback Calculated Property
Tboil 773.03 K Joback Calculated Property
Tc 999.82 K Joback Calculated Property
Tfus 472.16 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 505.10 J/mol×K 773.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 5
>C=O (nonring) 1
-Br 1

Similar Compounds

5-Bromovaleric acid, 4-cyanophenyl ester. Octanoic acid, 4-cyanophenyl ester. Valeric acid, 4-cyanophenyl ester. Glutaric acid, di(4-cyanophenyl) ester. 5-Chlorovaleric acid, 4-cyanophenyl ester. Butyric acid, ester with p-hydroxybenzonitrile. 3-Cyclopentylpropionic acid, 4-cyanophenyl ester. Adipic acid, di-p-tolyl ester. Sebacic acid, 4-cyanophenyl ethyl ester. Para-tolyl octanoate. Cyclobutanecarboxylic acid, 4-cyanophenyl ester. Sebacic acid, 4-cyanophenyl propyl ester. Sebacic acid, butyl 4-cyanophenyl ester. Sebacic acid, 4-cyanophenyl heptyl ester. Sebacic acid, 4-cyanophenyl octyl ester.

Find more compounds similar to 6-Bromohexanoic acid, 4-cyanophenyl ester.

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