Chemical Properties of 4-Butylbenzoic acid, pent-2-en-4-ynyl ester

4-Butylbenzoic acid, pent-2-en-4-ynyl ester

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InChI
InChI=1S/C16H18O2/c1-3-5-7-13-18-16(17)15-11-9-14(10-12-15)8-6-4-2/h1,5,7,9-12H,4,6,8,13H2,2H3/b7-5+
InChI Key
JKKNXQJVFQVSHN-FNORWQNLSA-N
Formula
C16H18O2
SMILES
C#CC=CCOC(=O)c1ccc(CCCC)cc1
Molecular Weight1
242.31
Sources

Physical Properties

Property Value Unit Source
Δf 255.99 kJ/mol Joback Calculated Property
Δfgas 15.81 kJ/mol Joback Calculated Property
Δfus 36.81 kJ/mol Joback Calculated Property
Δvap 63.12 kJ/mol Joback Calculated Property
logPoct/wat 3.38 Crippen Calculated Property
Pc 2081.22 kPa Joback Calculated Property
Tboil 667.71 K Joback Calculated Property
Tc 882.93 K Joback Calculated Property
Tfus 423.07 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 530.93 J/mol×K 667.71 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to 4-Butylbenzoic acid, pent-2-en-4-ynyl ester.

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