Chemical Properties of Dodecyl 2-bromobutanoate

Dodecyl 2-bromobutanoate

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InChI
InChI=1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-19-16(18)15(17)4-2/h15H,3-14H2,1-2H3
InChI Key
NXCHIIAWZIHPAX-UHFFFAOYSA-N
Formula
C16H31BrO2
SMILES
CCCCCCCCCCCCOC(=O)C(Br)CC
Molecular Weight1
335.32
Sources

Physical Properties

Property Value Unit Source
Δf -138.20 kJ/mol Joback Calculated Property
Δfgas -597.32 kJ/mol Joback Calculated Property
Δfus 41.75 kJ/mol Joback Calculated Property
Δvap 66.41 kJ/mol Joback Calculated Property
logPoct/wat 5.624 Crippen Calculated Property
Pc 1444.64 kPa Joback Calculated Property
Tboil 707.49 K Joback Calculated Property
Tc 888.41 K Joback Calculated Property
Tfus 387.04 K Joback Calculated Property
Vc 1.012 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 729.06 J/mol×K 707.49 Joback Calculated Property
η 0.0000953 Pa×s 707.49 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
-CH2- 12
>C=O (nonring) 1
-Br 1

Similar Compounds

Nonyl 2-bromobutanoate. Octyl 2-bromobutanoate. Hexadecyl 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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