Chemical Properties of Cyclobutanecarboxylic acid, 4-cyanophenyl ester

Cyclobutanecarboxylic acid, 4-cyanophenyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C12H11NO2/c13-8-9-4-6-11(7-5-9)15-12(14)10-2-1-3-10/h4-7,10H,1-3H2
InChI Key
ILZYZHSUQGGPKH-UHFFFAOYSA-N
Formula
C12H11NO2
SMILES
N#Cc1ccc(OC(=O)C2CCC2)cc1
Molecular Weight1
201.22
Sources

Physical Properties

Property Value Unit Source
Δf 100.85 kJ/mol Joback Calculated Property
Δfgas -79.23 kJ/mol Joback Calculated Property
Δfus 20.82 kJ/mol Joback Calculated Property
Δvap 64.96 kJ/mol Joback Calculated Property
logPoct/wat 2.26 Crippen Calculated Property
Pc 2835.36 kPa Joback Calculated Property
Tboil 695.00 K Joback Calculated Property
Tc 937.34 K Joback Calculated Property
Tfus 415.51 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 406.42 J/mol×K 695.0 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Ethylbutyric acid, 4-cyanophenyl ester. Valeric acid, 4-cyanophenyl ester. Cyclopropanecarboxylic acid, 4-cyanophenyl ester. Octanoic acid, 4-cyanophenyl ester. 5-Bromovaleric acid, 4-cyanophenyl ester. Glutaric acid, di(4-cyanophenyl) ester. Cyclohexanecarboxylic acid, 4-cyanophenyl ester. 5-Chlorovaleric acid, 4-cyanophenyl ester. 6-Bromohexanoic acid, 4-cyanophenyl ester. Butyric acid, ester with p-hydroxybenzonitrile. 2-Methylpropionic acid, 4-cyanophenyl ester. 3-Cyclopentylpropionic acid, 4-cyanophenyl ester. 2,2-Dimethylpropanoic acid, 4-cyanophenyl ester. Cyclobutanecarboxylic acid, phenyl ester. Sebacic acid, 4-cyanophenyl ethyl ester.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.