Chemical Properties of 4-Cyanobenzoic acid, tridecyl ester

4-Cyanobenzoic acid, tridecyl ester

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InChI
InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-21(23)20-15-13-19(18-22)14-16-20/h13-16H,2-12,17H2,1H3
InChI Key
DHAAEECFAMJFPO-UHFFFAOYSA-N
Formula
C21H31NO2
SMILES
CCCCCCCCCCCCCOC(=O)c1ccc(C#N)cc1
Molecular Weight1
329.48
Sources

Physical Properties

Property Value Unit Source
Δf 127.98 kJ/mol Joback Calculated Property
Δfgas -331.63 kJ/mol Joback Calculated Property
Δfus 48.09 kJ/mol Joback Calculated Property
Δvap 84.91 kJ/mol Joback Calculated Property
logPoct/wat 6.03 Crippen Calculated Property
Pc 1191.52 kPa Joback Calculated Property
Tboil 889.91 K Joback Calculated Property
Tc 1097.22 K Joback Calculated Property
Tfus 502.52 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 919.48 J/mol×K 889.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 12
>C=O (nonring) 1

Similar Compounds

4-Cyanobenzoic acid, dodecyl ester. 4-Cyanobenzoic acid, hexadecyl 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, tetradecyl 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.

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