Chemical Properties of 4-Butylbenzoic acid, hexyl ester

4-Butylbenzoic acid, hexyl ester

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InChI
InChI=1S/C17H26O2/c1-3-5-7-8-14-19-17(18)16-12-10-15(11-13-16)9-6-4-2/h10-13H,3-9,14H2,1-2H3
InChI Key
FSMGSEAKDZNSAS-UHFFFAOYSA-N
Formula
C17H26O2
SMILES
CCCCCCOC(=O)c1ccc(CCCC)cc1
Molecular Weight1
262.39
Sources

Physical Properties

Property Value Unit Source
Δf -38.88 kJ/mol Joback Calculated Property
Δfgas -413.95 kJ/mol Joback Calculated Property
Δfus 36.22 kJ/mol Joback Calculated Property
Δvap 65.53 kJ/mol Joback Calculated Property
logPoct/wat 4.77 Crippen Calculated Property
Pc 1615.47 kPa Joback Calculated Property
Tboil 696.31 K Joback Calculated Property
Tc 890.56 K Joback Calculated Property
Tfus 392.45 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 654.61 J/mol×K 696.31 Joback Calculated Property
η 0.00 Pa×s 696.31 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 8
>C=O (nonring) 1

Similar Compounds

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

Find more compounds similar to 4-Butylbenzoic acid, hexyl ester.

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