Chemical Properties of 4-Butylbenzoic acid, 3-methylbut-2-enyl ester

4-Butylbenzoic acid, 3-methylbut-2-enyl ester

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InChI
InChI=1S/C16H22O2/c1-4-5-6-14-7-9-15(10-8-14)16(17)18-12-11-13(2)3/h7-11H,4-6,12H2,1-3H3
InChI Key
MXTDRGHCGUHVIH-UHFFFAOYSA-N
Formula
C16H22O2
SMILES
CCCCc1ccc(C(=O)OCC=C(C)C)cc1
Molecular Weight1
246.34
Sources

Physical Properties

Property Value Unit Source
Δf 24.37 kJ/mol Joback Calculated Property
Δfgas -285.88 kJ/mol Joback Calculated Property
Δfus 32.53 kJ/mol Joback Calculated Property
Δvap 63.34 kJ/mol Joback Calculated Property
logPoct/wat 4.15 Crippen Calculated Property
Pc 1834.11 kPa Joback Calculated Property
Tboil 677.47 K Joback Calculated Property
Tc 883.60 K Joback Calculated Property
Tfus 362.14 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 577.28 J/mol×K 677.47 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Butylbenzoic acid, pent-2-en-4-ynyl ester. 4-Ethylbenzoic acid, 3-methylbut-2-enyl ester. 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester. 4-Butylbenzoic acid, ethyl ester. 4-Butylbenzoic acid, undec-2-enyl ester. Benzoic acid, 4-butyl-, methyl ester. 4-Ethylbenzoic acid, pent-2-en-4-ynyl ester. P-toluic acid, 3-methylbut-2-enyl ester. 4-Butylbenzoic acid, oct-3-en-2-yl ester. 4-Ethylbenzoic acid, 3-chloroprop-2-enyl ester. 4-Ethylbenzoic acid, undec-2-enyl ester. 4-Ethylbenzoic acid, ethyl ester. 4-Butylbenzoic acid, but-3-yn-2-yl ester. 4-Butylbenzoic acid, 3-methylbutyl ester. 4-Butylbenzoic acid, pentyl ester.

Find more compounds similar to 4-Butylbenzoic acid, 3-methylbut-2-enyl ester.

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