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

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

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InChI
InChI=1S/C12H9BrO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h1,3-8H,9H2
InChI Key
CPXXHMQKYYUPHF-UHFFFAOYSA-N
Formula
C12H9BrO2
SMILES
C#CC=CCOC(=O)c1ccc(Br)cc1
Molecular Weight1
265.10
Sources

Physical Properties

Property Value Unit Source
Δf 236.63 kJ/mol Joback Calculated Property
Δfgas 124.70 kJ/mol Joback Calculated Property
Δfus 31.74 kJ/mol Joback Calculated Property
Δvap 60.65 kJ/mol Joback Calculated Property
logPoct/wat 2.795 Crippen Calculated Property
Pc 3306.75 kPa Joback Calculated Property
Tboil 642.35 K Joback Calculated Property
Tc 886.45 K Joback Calculated Property
Tfus 437.79 K Joback Calculated Property
Vc 0.627 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 368.33 J/mol×K 642.35 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Bromobenzoic acid, 3-methylbut-2-enyl ester. 4-Bromobenzoic acid, 3-chloroprop-2-enyl ester. Benzoic acid, 4-bromo-, ethyl ester. 4-Bromobenzoic acid, undec-2-enyl ester. (E)-2-Butenyl benzoate. 3-Bromobenzoic acid, pent-2-en-4-ynyl ester. 4-Bromobenzoic acid, oct-3-en-2-yl ester. 4-Bromobenzoic acid methyl ester. 4-Bromobenzoic acid, but-3-yn-2-yl ester. Pent-2-en-1-yl benzoate. 2-Buten-1-ol, 3-methyl-, benzoate. Benzoic acid, 2-propenyl ester. 4-Ethylbenzoic acid, pent-2-en-4-ynyl ester. 4-Chlorobenzoic acid, pent-2-en-4-ynyl ester. 2-Bromobenzoic acid, pent-2-en-4-ynyl.

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

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