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
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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
log10WS -7.09 Crippen Calculated Property
logPoct/wat 6.026 Crippen Calculated Property
McVol 291.810 ml/mol McGowan Calculated Property
Pc 1191.52 kPa Joback Calculated Property
Inp 2540.00 NIST
Tboil 889.91 K Joback Calculated Property
Tc 1097.22 K Joback Calculated Property
Tfus 502.52 K Joback Calculated Property
Vc 1.153 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [919.48; 997.12] J/mol×K [889.91; 1097.22] Show Hide
Cp,gas 919.48 J/mol×K 889.91 Joback Calculated Property
Cp,gas 934.98 J/mol×K 924.46 Joback Calculated Property
Cp,gas 949.41 J/mol×K 959.01 Joback Calculated Property
Cp,gas 962.79 J/mol×K 993.56 Joback Calculated Property
Cp,gas 975.18 J/mol×K 1028.12 Joback Calculated Property
Cp,gas 986.61 J/mol×K 1062.67 Joback Calculated Property
Cp,gas 997.12 J/mol×K 1097.22 Joback Calculated Property

Similar Compounds

4-Cyanobenzoic acid, tetradecyl ester. 4-Cyanobenzoic acid, octyl ester. 4-Cyanobenzoic acid, nonyl ester. 4-Cyanobenzoic acid, undecyl ester. 4-Cyanobenzoic acid, decyl ester. 4-Cyanobenzoic acid, dodecyl ester. 4-Cyanobenzoic acid, pentadecyl ester. 4-Cyanobenzoic acid, hexadecyl ester. 4-Cyanobenzoic acid, heptadecyl ester. 4-Cyanobenzoic acid, heptyl ester. 4-Cyanobenzoic acid, hexyl ester. 4-Cyanobenzoic acid, pentyl ester. 1,4-Benzenedicarboxylic acid, dioctyl ester. Butyl octyl terephthalate. Terephthalic acid, heptyl pentyl ester.

Find more compounds similar to 4-Cyanobenzoic acid, tridecyl ester.

Sources

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