Chemical Properties of 2-(Acetyloxy)-5-bromobenzoic acid (CAS 1503-53-3)

2-(Acetyloxy)-5-bromobenzoic acid

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InChI
InChI=1S/C9H7BrO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)
InChI Key
VRJBEVQGJOSGOX-UHFFFAOYSA-N
Formula
C9H7BrO4
SMILES
CC(=O)Oc1ccc(Br)cc1C(=O)O
Molecular Weight1
259.05
CAS
1503-53-3
Sources

Physical Properties

Property Value Unit Source
Δf -367.29 kJ/mol Joback Calculated Property
Δfgas -498.78 kJ/mol Joback Calculated Property
Δfus 26.09 kJ/mol Joback Calculated Property
Δvap 78.24 kJ/mol Joback Calculated Property
logPoct/wat 2.07 Crippen Calculated Property
Pc 4379.97 kPa Joback Calculated Property
Tboil 730.46 K Joback Calculated Property
Tc 951.00 K Joback Calculated Property
Tfus 485.36 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 339.38 J/mol×K 730.46 Joback Calculated Property
η 0.00 Pa×s 730.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 3
>C=O (nonring) 2
-Br 1

Similar Compounds

Benzoic acid, 2-(acetyloxy)-. 2-(Propionyloxy)benzoic acid. Aspirin methyl ester. Benzoic acid, 2-ethoxy-. Trimethylsilyl acetylsalicylate. Salicylic anhydride, diacetate. 5-Bromo-2-ethoxybenzaldehyde. 2-[(2-Chloropropanoyl)oxy]benzoic acid. Ethylene glycol, O-acetyl-, O'-(2-acetyloxy)benzoate. 5-Bromosalicylic acid. Methyl 2-hydroxy-4-methoxybenzoate, acetate. O-(carboxymethoxy) benzoic acid. 5-Bromo-2-hydroxybenzyl alcohol, bis(trifluoroacetate). 2-(Acetyloxy)-3-methoxybenzoic acid. Methyl 2-ethoxybenzoate.

Find more compounds similar to 2-(Acetyloxy)-5-bromobenzoic acid.

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