Chemical Properties of Methyl 3,5-dibromobenzoate (CAS 51329-15-8)

Methyl 3,5-dibromobenzoate

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InChI
InChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChI Key
GSMAWUZTAIOCPL-UHFFFAOYSA-N
Formula
C8H6Br2O2
SMILES
COC(=O)c1cc(Br)cc(Br)c1
Molecular Weight1
293.94
CAS
51329-15-8
Other Names
  • Benzoic acid, 3,5-dibromo-, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -95.65 kJ/mol Joback Calculated Property
Δfgas -187.00 kJ/mol Joback Calculated Property
Δfus 23.10 kJ/mol Joback Calculated Property
Δvap 59.03 kJ/mol Joback Calculated Property
logPoct/wat 3.00 Crippen Calculated Property
Pc 4438.52 kPa Joback Calculated Property
Tboil 627.69 K Joback Calculated Property
Tc 878.22 K Joback Calculated Property
Tfus 423.14 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 274.61 J/mol×K 627.69 Joback Calculated Property
η 0.00 Pa×s 627.69 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 3-bromo-, methyl ester. 3,5-Dibromobenzoic acid. Benzoic acid, 3-bromo-, ethyl ester. Benzoic acid, 3-bromo-. 3-Bromobenzoic acid, pent-2-en-4-ynyl ester. 3-Bromobenzoic acid. 3-methylbut-2-enyl ester. 3-Bromobenzoic acid, 3-methylbutyl ester. Benzoic acid, (3-bromophenyl)methyl ester. 1,3-Benzenedicarboxylic acid, 5-bromo-, dimethyl ester. 3-Bromobenzoic acid, but-3-yn-2-yl ester. 3-Bromobenzoic acid, 3-methylbut-2-yl ester. 3-Bromobenzoic acid, 2-methylpentyl ester. 3-Bromobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Bromobenzoic acid, undec-2-enyl ester. 3-Bromobenzoic acid, tridec-2-ynyl ester.

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