Chemical Properties of Benzoic acid, 3-bromo-, methyl ester (CAS 618-89-3)

Benzoic acid, 3-bromo-, methyl ester

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InChI
InChI=1S/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI Key
KMFJVYMFCAIRAN-UHFFFAOYSA-N
Formula
C8H7BrO2
SMILES
COC(=O)c1cccc(Br)c1
Molecular Weight1
215.04
CAS
618-89-3
Other Names
  • 3-Bromobenzoic acid, methyl ester
  • Benzoic acid, m-bromo-, methyl ester
  • Methyl 3-bromobenzoate
  • Methyl m-bromobenzoate
  • m-Bromobenzoic acid methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -100.34 kJ/mol Joback Calculated Property
Δfgas -201.86 kJ/mol Joback Calculated Property
Δfus 18.20 kJ/mol Joback Calculated Property
Δvap 51.93 kJ/mol Joback Calculated Property
logPoct/wat 2.24 Crippen Calculated Property
Pc 4135.61 kPa Joback Calculated Property
Tboil 395.70 K NIST
Tboil 395.60 K NIST
Tc 792.86 K Joback Calculated Property
Tfus 304.50 ± 0.50 K NIST
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 246.83 J/mol×K 556.55 Joback Calculated Property
η 0.00 Pa×s 556.55 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Methyl 3,5-dibromobenzoate. 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. Benzoic acid, (3-bromophenyl)methyl ester. 3,5-Dibromobenzoic acid. 3-Bromobenzoic acid, 3-methylbutyl ester. 1,3-Benzenedicarboxylic acid, 5-bromo-, dimethyl ester. 3-Bromobenzoic acid, but-3-yn-2-yl ester. 3-Bromobenzoic acid, undec-2-enyl 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, tridec-2-ynyl ester.

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