Chemical Properties of 4-Cyanobenzoic acid, heptyl ester

4-Cyanobenzoic acid, heptyl ester

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InChI
InChI=1S/C15H19NO2/c1-2-3-4-5-6-11-18-15(17)14-9-7-13(12-16)8-10-14/h7-10H,2-6,11H2,1H3
InChI Key
QNDZVAFNIKAYET-UHFFFAOYSA-N
Formula
C15H19NO2
SMILES
CCCCCCCOC(=O)c1ccc(C#N)cc1
Molecular Weight1
245.32
Sources

Physical Properties

Property Value Unit Source
Δf 77.46 kJ/mol Joback Calculated Property
Δfgas -207.79 kJ/mol Joback Calculated Property
Δfus 32.55 kJ/mol Joback Calculated Property
Δvap 71.56 kJ/mol Joback Calculated Property
logPoct/wat 3.69 Crippen Calculated Property
Pc 1856.31 kPa Joback Calculated Property
Tboil 752.63 K Joback Calculated Property
Tc 963.66 K Joback Calculated Property
Tfus 434.90 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 577.27 J/mol×K 752.63 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
>C=O (nonring) 1

Similar Compounds

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

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