Chemical Properties of 4-Cyanobenzoic acid, cyclobutyl ester

4-Cyanobenzoic acid, cyclobutyl ester

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

InChI
InChI=1S/C12H11NO2/c13-8-9-4-6-10(7-5-9)12(14)15-11-2-1-3-11/h4-7,11H,1-3H2
InChI Key
ZEYMYKZTNSCNKB-UHFFFAOYSA-N
Formula
C12H11NO2
SMILES
N#Cc1ccc(C(=O)OC2CCC2)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 2.27 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

p-Toluic acid, cyclobutyl ester. 4-Cyanobenzoic acid, butyl ester. 4-Cyanobenzoic acid, pentyl ester. 4-Cyanobenzoic acid, heptyl ester. 4-Cyanobenzoic acid, 4-hexadecyl ester. 4-Cyanobenzoic acid, decyl ester. 4-Cyanobenzoic acid, dodecyl ester. 4-Cyanobenzoic acid, octyl ester. 4-Cyanobenzoic acid, nonyl ester. 4-Cyanobenzoic acid, undecyl ester. 4-Cyanobenzoic acid, tridecyl ester. 4-Cyanobenzoic acid, heptadecyl ester. 4-Cyanobenzoic acid, tetradecyl ester. 4-Cyanobenzoic acid, hexadecyl ester. 4-Cyanobenzoic acid, pentadecyl ester.

Find more compounds similar to 4-Cyanobenzoic acid, cyclobutyl 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.