Chemical Properties of Valeric acid, 4-cyanophenyl ester

Valeric acid, 4-cyanophenyl ester

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InChI
InChI=1S/C12H13NO2/c1-2-3-4-12(14)15-11-7-5-10(9-13)6-8-11/h5-8H,2-4H2,1H3
InChI Key
MMIDKFMIMXKQFT-UHFFFAOYSA-N
Formula
C12H13NO2
SMILES
CCCCC(=O)Oc1ccc(C#N)cc1
Molecular Weight1
203.24
Sources

Physical Properties

Property Value Unit Source
Δf 52.20 kJ/mol Joback Calculated Property
Δfgas -145.87 kJ/mol Joback Calculated Property
Δfus 24.78 kJ/mol Joback Calculated Property
Δvap 64.88 kJ/mol Joback Calculated Property
logPoct/wat 2.65 Crippen Calculated Property
Pc 2419.50 kPa Joback Calculated Property
Tboil 683.99 K Joback Calculated Property
Tc 904.34 K Joback Calculated Property
Tfus 401.09 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 420.49 J/mol×K 683.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
>C=O (nonring) 1

Similar Compounds

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

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