Chemical Properties of 4-Butylbenzoic acid, dodec-9-ynyl ester

4-Butylbenzoic acid, dodec-9-ynyl ester

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InChI
InChI=1S/C23H34O2/c1-3-5-7-8-9-10-11-12-13-14-20-25-23(24)22-18-16-21(17-19-22)15-6-4-2/h16-19H,3-4,6,8-15,20H2,1-2H3
InChI Key
FRMKCYYFFDURBJ-UHFFFAOYSA-N
Formula
C23H34O2
SMILES
CCC#CCCCCCCCCOC(=O)c1ccc(CCCC)cc1
Molecular Weight1
342.51
Sources

Physical Properties

Property Value Unit Source
Δf 214.44 kJ/mol Joback Calculated Property
Δfgas -265.49 kJ/mol Joback Calculated Property
Δfus 54.89 kJ/mol Joback Calculated Property
Δvap 81.04 kJ/mol Joback Calculated Property
logPoct/wat 6.33 Crippen Calculated Property
Pc 1185.79 kPa Joback Calculated Property
Tboil 842.59 K Joback Calculated Property
Tc 1046.31 K Joback Calculated Property
Tfus 566.17 K Joback Calculated Property
Vc 1.20 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 955.57 J/mol×K 842.59 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Butylbenzoic acid, tridecyl ester. 4-Butylbenzoic acid, nonyl ester. 4-Butylbenzoic acid, hexadecyl ester. 4-Butylbenzoic acid, heptadecyl ester. 4-Butylbenzoic acid, pentadecyl ester. 4-Butylbenzoic acid, decyl ester. 4-Butylbenzoic acid, undecyl ester. 4-Butylbenzoic acid, octadecyl ester. 4-Butylbenzoic acid, tetradecyl ester. 4-Butylbenzoic acid, octyl ester. 4-Butylbenzoic acid, heptyl ester. 4-Ethylbenzoic acid, dodec-9-ynyl ester. 4-Butylbenzoic acid, hexyl ester. 4-Butylbenzoic acid, pentyl ester. 4-Butylbenzoic acid, 8-chlorooctyl ester.

Find more compounds similar to 4-Butylbenzoic acid, dodec-9-ynyl ester.

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