Chemical Properties of 4-Butylbenzoic acid, octyl ester (CAS 128434-87-7)

4-Butylbenzoic acid, octyl ester

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InChI
InChI=1S/C19H30O2/c1-3-5-7-8-9-10-16-21-19(20)18-14-12-17(13-15-18)11-6-4-2/h12-15H,3-11,16H2,1-2H3
InChI Key
WOHCEFXPFWWXKJ-UHFFFAOYSA-N
Formula
C19H30O2
SMILES
CCCCCCCCOC(=O)c1ccc(CCCC)cc1
Molecular Weight1
290.44
CAS
128434-87-7
Sources

Physical Properties

Property Value Unit Source
Δf -22.04 kJ/mol Joback Calculated Property
Δfgas -455.23 kJ/mol Joback Calculated Property
Δfus 41.41 kJ/mol Joback Calculated Property
Δvap 69.98 kJ/mol Joback Calculated Property
logPoct/wat 5.55 Crippen Calculated Property
Pc 1392.29 kPa Joback Calculated Property
Tboil 742.07 K Joback Calculated Property
Tc 933.92 K Joback Calculated Property
Tfus 414.99 K Joback Calculated Property
Vc 1.02 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 767.84 J/mol×K 742.07 Joback Calculated Property
η 0.00 Pa×s 742.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
-CH3 2

Similar Compounds

4-Butylbenzoic acid, tridecyl ester. 4-Butylbenzoic acid, octadecyl ester. 4-Butylbenzoic acid, hexadecyl ester. 4-Butylbenzoic acid, decyl ester. 4-Butylbenzoic acid, pentadecyl ester. 4-Butylbenzoic acid, tetradecyl ester. 4-Butylbenzoic acid, nonyl ester. 4-Butylbenzoic acid, heptadecyl ester. 4-Butylbenzoic acid, undecyl ester. 4-Butylbenzoic acid, heptyl ester. 4-Butylbenzoic acid, hexyl ester. 4-Butylbenzoic acid, pentyl ester. 4-Butylbenzoic acid, 8-chlorooctyl ester. 4-Butylbenzoic acid, dodec-9-ynyl ester. 4-Butylbenzoic acid, 2-methylpentyl ester.

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