Chemical Properties of Ethyl 4-bromobutyrate (CAS 2969-81-5)

Ethyl 4-bromobutyrate

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InChI
InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChI Key
XBPOBCXHALHJFP-UHFFFAOYSA-N
Formula
C6H11BrO2
SMILES
CCOC(=O)CCCBr
Molecular Weight1
195.05
CAS
2969-81-5
Other Names
  • 4-Bromobutanoic acid, ethyl ester
  • BrCH2CH2CH2C(O)OC2H5
  • Butanoic acid, 4-bromo-, ethyl ester
  • Ethyl «gamma»-bromobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -219.96 kJ/mol Joback Calculated Property
Δfgas -385.64 kJ/mol Joback Calculated Property
Δfus 19.37 kJ/mol Joback Calculated Property
Δvap 44.54 kJ/mol Joback Calculated Property
logPoct/wat 1.72 Crippen Calculated Property
Pc 3547.31 kPa Joback Calculated Property
Tboil 355.20 K NIST
Tc 673.53 K Joback Calculated Property
Tfus 289.34 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 235.29 J/mol×K 479.13 Joback Calculated Property
η 0.00 Pa×s 479.13 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Bromobutyric acid, 3-methylbutyl ester. Butanoic acid, ethyl ester. Butanoic acid, propyl ester. 4-Bromobutanoic acid, 3-chloroprop-2-enyl ester. Butanoic acid, butyl ester. ethyl 4-hydroxybutanoate. Butanoic acid, 1-methylethyl ester. Pentanoic acid, 5-bromo-, ethyl ester. 1-Butanol, 4-bromo-, acetate. 2-Hydroxyethyl butyrate. Pentanoic acid, ethyl ester. 4-Bromobutyric acid, 8-chlorooctyl ester. Butanoic acid, 2-propynyl ester. 4-Pentenoic acid ethyl ester. 4-Bromobutanoic acid, but-3-yn-2-yl ester.

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