Chemical Properties of 4-Bromobenzoic acid methyl ester (CAS 619-42-1)

4-Bromobenzoic acid methyl ester

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InChI
InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key
CZNGTXVOZOWWKM-UHFFFAOYSA-N
Formula
C8H7BrO2
SMILES
COC(=O)c1ccc(Br)cc1
Molecular Weight1
215.04
CAS
619-42-1
Other Names
  • 4-Bromobenzoic acid, methyl ester
  • Benzoic acid, p-bromo-, methyl ester
  • Methyl 4-bromobenzoate
  • Methyl p-bromobenzoate
  • p-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
IE 9.47 eV NIST
logPoct/wat 2.24 Crippen Calculated Property
Pc 4135.61 kPa Joback Calculated Property
Tboil 556.55 K Joback Calculated Property
Tc 792.86 K Joback Calculated Property
Tfus 350.82 K Joback Calculated Property
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
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH3 1
-Br 1

Similar Compounds

Benzoic acid, 4-bromo-, ethyl ester. Benzoic acid, 4-bromo-. 4-Bromobenzoic acid, 3-chloroprop-2-enyl ester. Benzoic acid, methyl ester. 4-Bromobenzoic acid, 3-methylbut-2-enyl ester. 4-Bromobenzoic acid, pent-2-en-4-ynyl ester. 4-Bromobenzoic acid, but-3-yn-2-yl ester. Benzoic acid, ethyl ester. 4-Bromobenzoic acid, undec-2-enyl ester. Benzoic acid, 3-bromo-, methyl ester. Benzoic acid, 4-methyl-, methyl ester. 4-Bromobenzoic acid, tridec-2-ynyl ester. 4-HC(O)-C6H4-COOCH3. 1,4-Benzenedicarboxylic acid dimethyl ester. Methyl-2-bromobenzoate.

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