Chemical Properties of 4-Butylbenzoic acid, hexadecyl ester

4-Butylbenzoic acid, hexadecyl ester

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InChI
InChI=1S/C27H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-29-27(28)26-22-20-25(21-23-26)19-6-4-2/h20-23H,3-19,24H2,1-2H3
InChI Key
ULDIUVIOHZHOGE-UHFFFAOYSA-N
Formula
C27H46O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)c1ccc(CCCC)cc1
Molecular Weight1
402.65
Sources

Physical Properties

Property Value Unit Source
Δf 45.32 kJ/mol Joback Calculated Property
Δfgas -620.35 kJ/mol Joback Calculated Property
Δfus 62.12 kJ/mol Joback Calculated Property
Δvap 87.79 kJ/mol Joback Calculated Property
logPoct/wat 8.67 Crippen Calculated Property
Pc 841.13 kPa Joback Calculated Property
Tboil 925.11 K Joback Calculated Property
Tc 1132.60 K Joback Calculated Property
Tfus 505.15 K Joback Calculated Property
Vc 1.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1256.10 J/mol×K 925.11 Joback Calculated Property
η 0.00 Pa×s 925.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 18
-CH3 2

Similar Compounds

4-Butylbenzoic acid, octyl ester. 4-Butylbenzoic acid, tridecyl ester. 4-Butylbenzoic acid, octadecyl 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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