Chemical Properties of 4-Bromobutyric acid, 3,5-dimethylphenyl ester

4-Bromobutyric acid, 3,5-dimethylphenyl ester

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

InChI
InChI=1S/C12H15BrO2/c1-9-6-10(2)8-11(7-9)15-12(14)4-3-5-13/h6-8H,3-5H2,1-2H3
InChI Key
AQZLOSMCHRIGGX-UHFFFAOYSA-N
Formula
C12H15BrO2
SMILES
Cc1cc(C)cc(OC(=O)CCCBr)c1
Molecular Weight1
271.15
Sources

Physical Properties

Property Value Unit Source
Δf -76.29 kJ/mol Joback Calculated Property
Δfgas -295.89 kJ/mol Joback Calculated Property
Δfus 28.17 kJ/mol Joback Calculated Property
Δvap 61.50 kJ/mol Joback Calculated Property
logPoct/wat 3.38 Crippen Calculated Property
Pc 2619.09 kPa Joback Calculated Property
Tboil 653.05 K Joback Calculated Property
Tc 872.87 K Joback Calculated Property
Tfus 408.42 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 432.95 J/mol×K 653.05 Joback Calculated Property
η 0.00 Pa×s 653.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 3
>C=O (nonring) 1
-Br 1

Similar Compounds

Butyric acid, 3,5-dimethylphenyl ester. 4-Bromobutyric acid, 3-methylphenyl ester. Valeric acid, 3,5-dimethylphenyl ester. 5-Bromovaleric acid, 3,5-dimethylphenyl ester. 4-Chlorobutyric acid, 3,5-dimethylphenyl ester. Butanoic acid, 3-methylphenyl ester. Glutaric acid, di(3,5-dimethylphenyl) ester. Cyclopropanecarboxylic acid, 3,5-dimethylphenyl ester. Octanoic acid, 3,5-dimethylphenyl ester. Lauric acid, 3,5-dimethylphenyl ester. Sebacic acid, di(3,5-dimethylphenyl) ester. Valeric acid, 3-methylphenyl ester. 2-Methylpropionic acid, 3,5-dimethylphenyl ester. 5-Bromovaleric acid, 3-methylphenyl ester. 4-Bromobutyric acid, 3-ethylphenyl ester.

Find more compounds similar to 4-Bromobutyric acid, 3,5-dimethylphenyl 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.