Chemical Properties of 3-Bromobenzoic acid, pent-2-en-4-ynyl ester

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

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InChI
InChI=1S/C12H9BrO2/c1-2-3-4-8-15-12(14)10-6-5-7-11(13)9-10/h1,3-7,9H,8H2
InChI Key
XTOLJXDNCUFMHF-UHFFFAOYSA-N
Formula
C12H9BrO2
SMILES
C#CC=CCOC(=O)c1cccc(Br)c1
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 2.80 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 0.63 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 1
>C=O (nonring) 1
-Br 1
=CH- 2

Similar Compounds

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

Find more compounds similar to 3-Bromobenzoic acid, pent-2-en-4-ynyl ester.

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