Chemical Properties of 5-Bromovaleric acid, 4-methoxyphenyl ester

5-Bromovaleric acid, 4-methoxyphenyl ester

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

InChI
InChI=1S/C12H15BrO3/c1-15-10-5-7-11(8-6-10)16-12(14)4-2-3-9-13/h5-8H,2-4,9H2,1H3
InChI Key
SGXORFYTHBWRII-UHFFFAOYSA-N
Formula
C12H15BrO3
SMILES
COc1ccc(OC(=O)CCCCBr)cc1
Molecular Weight1
287.15
Sources

Physical Properties

Property Value Unit Source
Δf -171.66 kJ/mol Joback Calculated Property
Δfgas -416.64 kJ/mol Joback Calculated Property
Δfus 29.75 kJ/mol Joback Calculated Property
Δvap 63.25 kJ/mol Joback Calculated Property
logPoct/wat 3.17 Crippen Calculated Property
Pc 2613.74 kPa Joback Calculated Property
Tboil 670.49 K Joback Calculated Property
Tc 886.84 K Joback Calculated Property
Tfus 418.13 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 458.95 J/mol×K 670.49 Joback Calculated Property
η 0.00 Pa×s 670.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Valeric acid, 4-methoxyphenyl ester. 6-Bromohexanoic acid, 4-methoxyphenyl ester. Glutaric acid, di(4-methoxyphenyl) ester. 5-Chlorovaleric acid, 4-methoxyphenyl ester. Butyric acid, p-methoxyphenyl ester. Octanoic acid, 4-methoxyphenyl ester. Myristic acid, 4-methoxyphenyl ester. 4-Bromobutyric acid, 4-methoxyphenyl ester. Pentanoic acid, phenyl ester. Sebacic acid, di(4-isopropoxyphenyl) ester. Hexanoic acid, phenyl ester. Adipic acid, diphenyl ester. Heptanoic acid, phenyl ester. Sebacic acid, diphenyl ester. Myristic acid, phenyl ester.

Find more compounds similar to 5-Bromovaleric acid, 4-methoxyphenyl 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.