Chemical Properties of Butyl 2-bromobutanoate (CAS 42115-48-0)

Butyl 2-bromobutanoate

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InChI
InChI=1S/C8H15BrO2/c1-3-5-6-11-8(10)7(9)4-2/h7H,3-6H2,1-2H3
InChI Key
DKZLMRKANVHJGG-UHFFFAOYSA-N
Formula
C8H15BrO2
SMILES
CCCCOC(=O)C(Br)CC
Molecular Weight1
223.11
CAS
42115-48-0
Other Names
  • butyl 2-bromobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -205.56 kJ/mol Joback Calculated Property
Δfgas -432.20 kJ/mol Joback Calculated Property
Δfus 21.03 kJ/mol Joback Calculated Property
Δvap 48.61 kJ/mol Joback Calculated Property
logPoct/wat 2.50 Crippen Calculated Property
Pc 2881.21 kPa Joback Calculated Property
Tboil 524.45 K Joback Calculated Property
Tc 718.18 K Joback Calculated Property
Tfus 296.88 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 320.63 J/mol×K 524.45 Joback Calculated Property
η 0.00 Pa×s 524.45 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Butyric acid, 2-bromo-, propyl ester. Butanoic acid, 2-bromo-, pentyl ester. Isopentyl 2-bromobutanoate. Hexyl 2-bromobutanoate. Nonyl 2-bromobutanoate. Hexadecyl 2-bromobutanoate. Octyl 2-bromobutanoate. Tetradecyl 2-bromobutanoate. Dodecyl 2-bromobutanoate. Butanoic acid, 2-bromo-, ethyl ester. Isobutyl 2-bromobutanoate. BUTYL 2-BROMOPROPIONATE. 2- Bromopropionic acid, pentyl ester. 2-Bromopropionic acid, 3-methylbutyl ester. 2- Bromopropionic acid, hexyl ester.

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