Chemical Properties of 2,2-Dimethylpropanoic acid, 4-cyanophenyl ester

2,2-Dimethylpropanoic acid, 4-cyanophenyl ester

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InChI
InChI=1S/C12H13NO2/c1-12(2,3)11(14)15-10-6-4-9(8-13)5-7-10/h4-7H,1-3H3
InChI Key
KVCYRHCBMVONNS-UHFFFAOYSA-N
Formula
C12H13NO2
SMILES
CC(C)(C)C(=O)Oc1ccc(C#N)cc1
Molecular Weight1
203.24
Sources

Physical Properties

Property Value Unit Source
Δf 55.04 kJ/mol Joback Calculated Property
Δfgas -154.62 kJ/mol Joback Calculated Property
Δfus 17.37 kJ/mol Joback Calculated Property
Δvap 63.58 kJ/mol Joback Calculated Property
logPoct/wat 2.51 Crippen Calculated Property
Pc 2465.36 kPa Joback Calculated Property
Tboil 680.76 K Joback Calculated Property
Tc 913.60 K Joback Calculated Property
Tfus 403.51 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 423.63 J/mol×K 680.76 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Methylpropionic acid, 4-cyanophenyl ester. Cyclopropanecarboxylic acid, 4-cyanophenyl ester. Propanoic acid, 2-methyl-, 4-methylphenyl ester. Butyric acid, ester with p-hydroxybenzonitrile. 2-Ethylbutyric acid, 4-cyanophenyl ester. Valeric acid, 4-cyanophenyl ester. Cyclobutanecarboxylic acid, 4-cyanophenyl ester. Glutaric acid, di(4-cyanophenyl) ester. Succinic acid, di(4-cyanophenyl) ester. 5-Chlorovaleric acid, 4-cyanophenyl ester. 5-Bromovaleric acid, 4-cyanophenyl ester. Octanoic acid, 4-cyanophenyl ester. Isochavicol isobutyrate. 4-(1-Propenyl)-phenyl-isobutyrate. 6-Bromohexanoic acid, 4-cyanophenyl ester.

Find more compounds similar to 2,2-Dimethylpropanoic acid, 4-cyanophenyl ester.

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