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

3-Bromobenzoic acid, but-3-yn-2-yl ester

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InChI
InChI=1S/C11H9BrO2/c1-3-8(2)14-11(13)9-5-4-6-10(12)7-9/h1,4-8H,2H3
InChI Key
MYMIMMHESYRMIQ-UHFFFAOYSA-N
Formula
C11H9BrO2
SMILES
C#CC(C)OC(=O)c1cccc(Br)c1
Molecular Weight1
253.09
Sources

Physical Properties

Property Value Unit Source
Δf 145.55 kJ/mol Joback Calculated Property
Δfgas 22.84 kJ/mol Joback Calculated Property
Δfus 25.42 kJ/mol Joback Calculated Property
Δvap 58.08 kJ/mol Joback Calculated Property
logPoct/wat 2.63 Crippen Calculated Property
Pc 3513.74 kPa Joback Calculated Property
Tboil 614.87 K Joback Calculated Property
Tc 858.99 K Joback Calculated Property
Tfus 416.60 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 343.42 J/mol×K 614.87 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Bromobenzoic acid, hex-4-yn-3-yl ester. Benzoic acid, 3-bromo-, ethyl ester. 3-Bromobenzoic acid, tridec-2-ynyl ester. 3-Bromobenzoic acid, 3-methylbut-2-yl ester. 3-Bromobenzoic acid, pent-2-en-4-ynyl ester. 4-Bromobenzoic acid, but-3-yn-2-yl ester. 3-Bromobenzoic acid. 3-methylbut-2-enyl ester. Benzoic acid, 3-bromo-, methyl ester. 3-Bromobenzoic acid, 3-methylbutyl ester. 3-Bromobenzoic acid, oct-3-en-2-yl ester. 3-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. 3-Bromobenzoic acid, 2-methylpentyl ester. 3-Bromobenzoic acid, undec-2-enyl ester. P-toluic acid, but-3-yn-2-yl ester. Methyl 3,5-dibromobenzoate.

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

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