Chemical Properties of 5-Bromovaleric acid, octyl ester (CAS 13931-44-7)

5-Bromovaleric acid, octyl ester

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InChI
InChI=1S/C13H25BrO2/c1-2-3-4-5-6-9-12-16-13(15)10-7-8-11-14/h2-12H2,1H3
InChI Key
WJGKHCBEUVDHNP-UHFFFAOYSA-N
Formula
C13H25BrO2
SMILES
CCCCCCCCOC(=O)CCCCBr
Molecular Weight1
293.24
CAS
13931-44-7
Sources

Physical Properties

Property Value Unit Source
Δf -161.02 kJ/mol Joback Calculated Property
Δfgas -530.12 kJ/mol Joback Calculated Property
Δfus 37.50 kJ/mol Joback Calculated Property
Δvap 60.12 kJ/mol Joback Calculated Property
logPoct/wat 4.46 Crippen Calculated Property
Pc 1809.23 kPa Joback Calculated Property
Tboil 639.29 K Joback Calculated Property
Tc 819.82 K Joback Calculated Property
Tfus 368.23 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 564.45 J/mol×K 639.29 Joback Calculated Property
η 0.00 Pa×s 639.29 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 11
>C=O (nonring) 1
-Br 1
-CH3 1

Similar Compounds

5-Bromovaleric acid, octadecyl ester. 5-Bromovaleric acid, heptadecyl ester. 5-Bromovaleric acid, tetradecyl ester. 5-Bromovaleric acid, tridecyl ester. 5-Bromovaleric acid, hexadecyl ester. 5-Bromovaleric acid, decyl ester. 5-Bromovaleric acid, pentadecyl ester. 5-Bromovaleric acid, heptyl ester. 5-Bromovaleric acid, pentyl ester. Valeric acid, dodecyl ester. Pentanoic acid, nonyl ester. Pentanoic acid, undecyl ester. Valeric acid, hexadecyl ester. Valeric acid, tetradecyl ester. Valeric acid, tridecyl ester.

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