Chemical Properties of Hexadecyl 2-bromobutanoate

Hexadecyl 2-bromobutanoate

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InChI
InChI=1S/C20H39BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22)19(21)4-2/h19H,3-18H2,1-2H3
InChI Key
DWBJZRRQROSBIE-UHFFFAOYSA-N
Formula
C20H39BrO2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(Br)CC
Molecular Weight1
391.43
Sources

Physical Properties

Property Value Unit Source
Δf -104.52 kJ/mol Joback Calculated Property
Δfgas -679.88 kJ/mol Joback Calculated Property
Δfus 52.11 kJ/mol Joback Calculated Property
Δvap 75.32 kJ/mol Joback Calculated Property
logPoct/wat 7.184 Crippen Calculated Property
Pc 1100.08 kPa Joback Calculated Property
Tboil 799.01 K Joback Calculated Property
Tc 983.68 K Joback Calculated Property
Tfus 432.12 K Joback Calculated Property
Vc 1.236 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 963.67 J/mol×K 799.01 Joback Calculated Property
η 0.0000536 Pa×s 799.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
-CH2- 16
>C=O (nonring) 1
-Br 1

Similar Compounds

Nonyl 2-bromobutanoate. Octyl 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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