Chemical Properties of 5-Bromovaleric acid, 3-methylphenyl ester

5-Bromovaleric acid, 3-methylphenyl ester

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

InChI
InChI=1S/C12H15BrO2/c1-10-5-4-6-11(9-10)15-12(14)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3
InChI Key
ODJQMFULZXKNIQ-UHFFFAOYSA-N
Formula
C12H15BrO2
SMILES
Cc1cccc(OC(=O)CCCCBr)c1
Molecular Weight1
271.15
Sources

Physical Properties

Property Value Unit Source
Δf -66.66 kJ/mol Joback Calculated Property
Δfgas -284.42 kJ/mol Joback Calculated Property
Δfus 28.56 kJ/mol Joback Calculated Property
Δvap 60.84 kJ/mol Joback Calculated Property
logPoct/wat 3.47 Crippen Calculated Property
Pc 2659.77 kPa Joback Calculated Property
Tboil 648.07 K Joback Calculated Property
Tc 867.01 K Joback Calculated Property
Tfus 395.90 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 433.91 J/mol×K 648.07 Joback Calculated Property
η 0.00 Pa×s 648.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 4
>C=O (nonring) 1
-Br 1

Similar Compounds

Valeric acid, 3-methylphenyl ester. 5-Bromovaleric acid, 3,5-dimethylphenyl ester. Glutaric acid, di(3-methylphenyl) ester. Butanoic acid, 3-methylphenyl ester. 5-Chlorovaleric acid, 3-methylphenyl ester. Valeric acid, 3,5-dimethylphenyl ester. Octanoic acid, 3-methylphenyl ester. Sebacic acid, di(3-methylphenyl) ester. Nonoic acid, 3-methylphenyl ester. Myristic acid, 3-methylphenyl ester. 4-Bromobutyric acid, 3-methylphenyl ester. 6-Chlorohexanoic acid, 3-methylphenyl ester. Glutaric acid, di(3,5-dimethylphenyl) ester. Butyric acid, 3,5-dimethylphenyl ester. Sebacic acid, di(3,5-dimethylphenyl) ester.

Find more compounds similar to 5-Bromovaleric acid, 3-methylphenyl 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.