Chemical Properties of 4-Butylbenzoic acid, but-3-yn-2-yl ester

4-Butylbenzoic acid, but-3-yn-2-yl ester

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InChI
InChI=1S/C15H18O2/c1-4-6-7-13-8-10-14(11-9-13)15(16)17-12(3)5-2/h2,8-12H,4,6-7H2,1,3H3
InChI Key
WDPXNICGYXUUQU-UHFFFAOYSA-N
Formula
C15H18O2
SMILES
C#CC(C)OC(=O)c1ccc(CCCC)cc1
Molecular Weight1
230.30
Sources

Physical Properties

Property Value Unit Source
Δf 164.91 kJ/mol Joback Calculated Property
Δfgas -86.05 kJ/mol Joback Calculated Property
Δfus 30.50 kJ/mol Joback Calculated Property
Δvap 60.55 kJ/mol Joback Calculated Property
logPoct/wat 3.21 Crippen Calculated Property
Pc 2183.60 kPa Joback Calculated Property
Tboil 640.23 K Joback Calculated Property
Tc 854.72 K Joback Calculated Property
Tfus 401.88 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 501.55 J/mol×K 640.23 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to 4-Butylbenzoic acid, but-3-yn-2-yl ester.

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