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
  • Methyl 3-bromobenzoate
  • m-Bromobenzoic acid methyl ester
  • Benzoic acid, m-bromo-, methyl ester
  • Methyl m-bromobenzoate
  • 3-Bromobenzoic acid, methyl ester
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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
log10WS -2.88 Crippen Calculated Property
logPoct/wat 2.236 Crippen Calculated Property
McVol 124.760 ml/mol McGowan Calculated Property
Pc 4135.61 kPa Joback Calculated Property
Inp [1340.00; 1340.00]   Show Hide
Inp 1340.00 NIST
Inp 1340.00 NIST
Tboil 556.55 K Joback Calculated Property
Tc 792.86 K Joback Calculated Property
Tfus 304.50 ± 0.50 K NIST
Vc 0.462 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [246.83; 298.81] J/mol×K [556.55; 792.86] Show Hide
Cp,gas 246.83 J/mol×K 556.55 Joback Calculated Property
Cp,gas 257.12 J/mol×K 595.93 Joback Calculated Property
Cp,gas 266.74 J/mol×K 635.32 Joback Calculated Property
Cp,gas 275.70 J/mol×K 674.70 Joback Calculated Property
Cp,gas 284.02 J/mol×K 714.09 Joback Calculated Property
Cp,gas 291.72 J/mol×K 753.47 Joback Calculated Property
Cp,gas 298.81 J/mol×K 792.86 Joback Calculated Property
η [0.0002598; 0.0015564] Pa×s [350.82; 556.55] Show Hide
η 0.0015564 Pa×s 350.82 Joback Calculated Property
η 0.0010113 Pa×s 385.11 Joback Calculated Property
η 0.0007051 Pa×s 419.40 Joback Calculated Property
η 0.0005191 Pa×s 453.69 Joback Calculated Property
η 0.0003990 Pa×s 487.97 Joback Calculated Property
η 0.0003175 Pa×s 522.26 Joback Calculated Property
η 0.0002598 Pa×s 556.55 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [395.60; 395.70] K [2.00; 2.00] Show Hide
Tboilr 395.70 K 2.00 NIST
Tboilr 395.60 K 2.00 NIST

Similar Compounds

Benzoic acid, 3-bromo-, ethyl ester. 3-Bromobenzoic acid, 2,2,2-trichloroethyl ester. Methyl-2-bromobenzoate. 1,4-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester. Methyl 3,5-dibromobenzoate. Benzoic acid, 3-bromo-. Benzoic acid, 4-bromo-, methyl ester. 1,3-Benzenedicarboxylic acid, 5-bromo-, dimethyl ester. 3-Bromobenzoic acid, 3-chloroprop-2-enyl ester. 3-Bromobenzoic acid, but-3-yn-2-yl ester. Benzoic acid, (3-bromophenyl)methyl ester. Benzoic acid, methyl ester. 3-Bromobenzoic acid, pent-2-en-4-ynyl ester. 3-Bromobenzoic acid. 3-methylbut-2-enyl ester. Ethyl 2-bromobenzoate.

Find more compounds similar to Benzoic acid, 3-bromo-, methyl ester.

Sources

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