Chemical Properties of 5-Bromovaleric acid, heptyl ester (CAS 13931-43-6)

5-Bromovaleric acid, heptyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C12H23BrO2/c1-2-3-4-5-8-11-15-12(14)9-6-7-10-13/h2-11H2,1H3
InChI Key
NGEGJBIKQPUVST-UHFFFAOYSA-N
Formula
C12H23BrO2
SMILES
CCCCCCCOC(=O)CCCCBr
Molecular Weight1
279.21
CAS
13931-43-6
Sources

Physical Properties

Property Value Unit Source
Δf -169.44 kJ/mol Joback Calculated Property
Δfgas -509.48 kJ/mol Joback Calculated Property
Δfus 34.91 kJ/mol Joback Calculated Property
Δvap 57.90 kJ/mol Joback Calculated Property
logPoct/wat 4.07 Crippen Calculated Property
Pc 1966.56 kPa Joback Calculated Property
Tboil 616.41 K Joback Calculated Property
Tc 798.29 K Joback Calculated Property
Tfus 356.96 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 512.44 J/mol×K 616.41 Joback Calculated Property
η 0.00 Pa×s 616.41 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 10
>C=O (nonring) 1
-Br 1
-CH3 1

Similar Compounds

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

Find more compounds similar to 5-Bromovaleric acid, heptyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.