Chemical Properties of 4-Cyanobenzoic acid, tetradecyl ester

4-Cyanobenzoic acid, tetradecyl ester

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

InChI
InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-22(24)21-16-14-20(19-23)15-17-21/h14-17H,2-13,18H2,1H3
InChI Key
GHWJYNVUWQLING-UHFFFAOYSA-N
Formula
C22H33NO2
SMILES
CCCCCCCCCCCCCCOC(=O)c1ccc(C#N)cc1
Molecular Weight1
343.50
Sources

Physical Properties

Property Value Unit Source
Δf 136.40 kJ/mol Joback Calculated Property
Δfgas -352.27 kJ/mol Joback Calculated Property
Δfus 50.68 kJ/mol Joback Calculated Property
Δvap 87.14 kJ/mol Joback Calculated Property
logPoct/wat 6.42 Crippen Calculated Property
Pc 1116.31 kPa Joback Calculated Property
Tboil 912.79 K Joback Calculated Property
Tc 1121.96 K Joback Calculated Property
Tfus 513.79 K Joback Calculated Property
Vc 1.21 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 979.40 J/mol×K 912.79 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 13
-CH3 1

Similar Compounds

4-Cyanobenzoic acid, dodecyl ester. 4-Cyanobenzoic acid, hexadecyl ester. 4-Cyanobenzoic acid, tridecyl ester. 4-Cyanobenzoic acid, undecyl ester. 4-Cyanobenzoic acid, octyl ester. 4-Cyanobenzoic acid, pentadecyl ester. 4-Cyanobenzoic acid, heptadecyl ester. 4-Cyanobenzoic acid, nonyl ester. 4-Cyanobenzoic acid, decyl ester. 4-Cyanobenzoic acid, heptyl ester. 4-Cyanobenzoic acid, undec-10-enyl ester. 4-Cyanobenzoic acid, pentyl ester. 4-Cyanobenzoic acid, dodec-9-ynyl ester. 4-Cyanobenzoic acid, butyl ester. p-Toluic acid, pentadecyl ester.

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