Chemical Properties of Benzoic acid, 4-bromo-, ethyl ester (CAS 5798-75-4)

Benzoic acid, 4-bromo-, ethyl ester

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InChI
InChI=1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChI Key
XZIAFENWXIQIKR-UHFFFAOYSA-N
Formula
C9H9BrO2
SMILES
CCOC(=O)c1ccc(Br)cc1
Molecular Weight1
229.07
CAS
5798-75-4
Other Names
  • 4-Bromobenzoic acid, ethyl ester
  • Benzoic acid, p-bromo-, ethyl ester
  • Ethyl p-bromobenzoate
  • Ethyl-4-bromobenzoate
  • p-(Ethoxycarbonyl)phenyl bromide
Sources

Physical Properties

Property Value Unit Source
Δf -91.92 kJ/mol Joback Calculated Property
Δfgas -222.50 kJ/mol Joback Calculated Property
Δfus 20.79 kJ/mol Joback Calculated Property
Δvap 54.16 kJ/mol Joback Calculated Property
logPoct/wat 2.626 Crippen Calculated Property
Pc 3668.65 kPa Joback Calculated Property
Tboil 535.20 K NIST
Tboil 535.00 K NIST
Tboil 404.00 K NIST
Tc 811.07 K Joback Calculated Property
Tfus 362.09 K Joback Calculated Property
Vc 0.517 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 291.08 J/mol×K 579.43 Joback Calculated Property
η 0.0002354 Pa×s 579.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 1
-CH3 1
-Br 1

Similar Compounds

4-Bromobenzoic acid methyl ester. 4-Bromobenzoic acid, 3-chloroprop-2-enyl 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, 4-bromo-. 4-Bromobenzoic acid, tridec-2-ynyl ester. Benzoic acid, 1-methylethyl ester. n-Propyl benzoate. 1,2-Ethanediol, monobenzoate. Benzoic acid, 2-propenyl ester. Benzoic acid 2-bromoethyl ester. ETHYL 4-METHYLBENZOATE.

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