Chemical Properties of 4-Butylbenzoic acid, 3-methylbutyl ester

4-Butylbenzoic acid, 3-methylbutyl ester

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InChI
InChI=1S/C16H24O2/c1-4-5-6-14-7-9-15(10-8-14)16(17)18-12-11-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3
InChI Key
XFLZSMLNZLATFX-UHFFFAOYSA-N
Formula
C16H24O2
SMILES
CCCCc1ccc(C(=O)OCCC(C)C)cc1
Molecular Weight1
248.36
Sources

Physical Properties

Property Value Unit Source
Δf -49.74 kJ/mol Joback Calculated Property
Δfgas -398.59 kJ/mol Joback Calculated Property
Δfus 30.11 kJ/mol Joback Calculated Property
Δvap 62.92 kJ/mol Joback Calculated Property
logPoct/wat 4.23 Crippen Calculated Property
Pc 1759.49 kPa Joback Calculated Property
Tboil 672.99 K Joback Calculated Property
Tc 872.43 K Joback Calculated Property
Tfus 366.18 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 600.19 J/mol×K 672.99 Joback Calculated Property
η 0.00 Pa×s 672.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 5
-CH3 3

Similar Compounds

4-Butylbenzoic acid, pentyl ester. 4-Butylbenzoic acid, hexyl ester. 4-Butylbenzoic acid, heptyl ester. 4-Butylbenzoic acid, tetradecyl ester. 4-Butylbenzoic acid, nonyl ester. 4-Butylbenzoic acid, decyl ester. 4-Butylbenzoic acid, undecyl ester. 4-Butylbenzoic acid, tridecyl ester. 4-Butylbenzoic acid, octyl ester. 4-Butylbenzoic acid, hexadecyl ester. 4-Butylbenzoic acid, heptadecyl ester. 4-Butylbenzoic acid, octadecyl ester. 4-Butylbenzoic acid, pentadecyl ester. 4-Butylbenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Butylbenzoic acid, 2-methylpentyl ester.

Find more compounds similar to 4-Butylbenzoic acid, 3-methylbutyl ester.

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