Chemical Properties of Octanoic acid, 4-cyanophenyl ester (CAS 93777-17-4)

Octanoic acid, 4-cyanophenyl ester

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InChI
InChI=1S/C15H19NO2/c1-2-3-4-5-6-7-15(17)18-14-10-8-13(12-16)9-11-14/h8-11H,2-7H2,1H3
InChI Key
XRSCWCVKLXEFJB-UHFFFAOYSA-N
Formula
C15H19NO2
SMILES
CCCCCCCC(=O)Oc1ccc(C#N)cc1
Molecular Weight1
245.32
CAS
93777-17-4
Other Names
  • 4-cyanophenyl octanoate
Sources

Physical Properties

Property Value Unit Source
Δf 77.46 kJ/mol Joback Calculated Property
Δfgas -207.79 kJ/mol Joback Calculated Property
Δfus 32.55 kJ/mol Joback Calculated Property
Δvap 71.56 kJ/mol Joback Calculated Property
logPoct/wat 3.82 Crippen Calculated Property
Pc 1856.31 kPa Joback Calculated Property
Tboil 752.63 K Joback Calculated Property
Tc 963.66 K Joback Calculated Property
Tfus 434.90 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 577.27 J/mol×K 752.63 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
-CH3 1

Similar Compounds

Valeric acid, 4-cyanophenyl ester. 6-Bromohexanoic acid, 4-cyanophenyl ester. 3-Cyclopentylpropionic acid, 4-cyanophenyl ester. Glutaric acid, di(4-cyanophenyl) ester. Para-tolyl octanoate. 5-Chlorovaleric acid, 4-cyanophenyl ester. 5-Bromovaleric acid, 4-cyanophenyl ester. Sebacic acid, 4-cyanophenyl ethyl ester. Butyric acid, ester with p-hydroxybenzonitrile. Sebacic acid, 4-cyanophenyl propyl ester. Sebacic acid, butyl 4-cyanophenyl ester. Sebacic acid, 4-cyanophenyl pentyl ester. Sebacic acid, 4-cyanophenyl decyl ester. Sebacic acid, 4-cyanophenyl octyl ester. Sebacic acid, 4-cyanophenyl heptyl ester.

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

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