Chemical Properties of 3-Methylbut-2-enoic acid, 4-cyanophenyl ester

3-Methylbut-2-enoic acid, 4-cyanophenyl ester

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InChI
InChI=1S/C12H11NO2/c1-9(2)7-12(14)15-11-5-3-10(8-13)4-6-11/h3-7H,1-2H3
InChI Key
KQIOMMKFZCDOIT-UHFFFAOYSA-N
Formula
C12H11NO2
SMILES
CC(C)=CC(=O)Oc1ccc(C#N)cc1
Molecular Weight1
201.22
Sources

Physical Properties

Property Value Unit Source
Δf 123.87 kJ/mol Joback Calculated Property
Δfgas -38.44 kJ/mol Joback Calculated Property
Δfus 23.67 kJ/mol Joback Calculated Property
Δvap 64.92 kJ/mol Joback Calculated Property
logPoct/wat 2.43 Crippen Calculated Property
Pc 2561.10 kPa Joback Calculated Property
Tboil 688.03 K Joback Calculated Property
Tc 920.86 K Joback Calculated Property
Tfus 382.05 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 396.98 J/mol×K 688.03 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

p-Cresyl isotiglate. Bromoacetic acid, 4-cyanophenyl ester. Chloroacetic acid, 4-cyanophenyl ester. 3-Methylbut-2-enoic acid, 3-methylphenyl ester. 2-Methylpropionic acid, 4-cyanophenyl ester. Fumaric acid, 4-cyanophenyl 3-chlorophenyl ester. Butyric acid, ester with p-hydroxybenzonitrile. Dichloroacetic acid, 4-cyanophenyl ester. 3-Methylbut-2-enoic acid, 4-methoxyphenyl ester. 2,2-Dimethylpropanoic acid, 4-cyanophenyl ester. 3-Methylbut-2-enoic acid, 3,5-dimethylphenyl ester. Acetic acid, 4-methylphenyl ester. Valeric acid, 4-cyanophenyl ester. 4-(1-Propenyl)-phenyl tiglate. 4-(2-Propenyl)-phenylangelate.

Find more compounds similar to 3-Methylbut-2-enoic acid, 4-cyanophenyl ester.

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