Chemical Properties of Octyl 2-bromobutanoate

Octyl 2-bromobutanoate

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InChI
InChI=1S/C12H23BrO2/c1-3-5-6-7-8-9-10-15-12(14)11(13)4-2/h11H,3-10H2,1-2H3
InChI Key
GYJWHDFXRDXRGT-UHFFFAOYSA-N
Formula
C12H23BrO2
SMILES
CCCCCCCCOC(=O)C(Br)CC
Molecular Weight1
279.21
Sources

Physical Properties

Property Value Unit Source
Δf -171.88 kJ/mol Joback Calculated Property
Δfgas -514.76 kJ/mol Joback Calculated Property
Δfus 31.39 kJ/mol Joback Calculated Property
Δvap 57.51 kJ/mol Joback Calculated Property
logPoct/wat 4.06 Crippen Calculated Property
Pc 1980.59 kPa Joback Calculated Property
Tboil 615.97 K Joback Calculated Property
Tc 800.98 K Joback Calculated Property
Tfus 341.96 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 512.85 J/mol×K 615.97 Joback Calculated Property
η 0.00 Pa×s 615.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
-CH2- 8
>C=O (nonring) 1
-Br 1

Similar Compounds

Nonyl 2-bromobutanoate. Hexadecyl 2-bromobutanoate. Dodecyl 2-bromobutanoate. Tetradecyl 2-bromobutanoate. Hexyl 2-bromobutanoate. Butanoic acid, 2-bromo-, pentyl ester. Butyl 2-bromobutanoate. 2- Bromopropionic acid, octyl ester. 2- Bromopropionic acid, tetradecyl ester. 2- Bromopropionic acid, hexadecyl ester. 2- Bromopropionic acid, octadecyl ester. 2- Bromopropionic acid, tridecyl ester. 2- Bromopropionic acid, pentadecyl ester. Nonyl 2-bromopropanoate. 2- Bromopropionic acid, heptyl ester.

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