Chemical Properties of 2-Bromo-4,5-dimethoxyphenylacetic acid (CAS 4697-62-5)

2-Bromo-4,5-dimethoxyphenylacetic acid

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InChI
InChI=1S/C10H11BrO4/c1-14-8-3-6(4-10(12)13)7(11)5-9(8)15-2/h3,5H,4H2,1-2H3,(H,12,13)
InChI Key
MDOLAGJKKZEHHW-UHFFFAOYSA-N
Formula
C10H11BrO4
SMILES
COc1cc(Br)c(CC(=O)O)cc1OC
Molecular Weight1
275.10
CAS
4697-62-5
Sources

Physical Properties

Property Value Unit Source
Δf -344.58 kJ/mol Joback Calculated Property
Δfgas -550.53 kJ/mol Joback Calculated Property
Δfus 27.88 kJ/mol Joback Calculated Property
Δvap 76.80 kJ/mol Joback Calculated Property
logPoct/wat 2.09 Crippen Calculated Property
Pc 3452.08 kPa Joback Calculated Property
Tboil 726.87 K Joback Calculated Property
Tc 937.08 K Joback Calculated Property
Tfus 481.45 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 403.22 J/mol×K 726.87 Joback Calculated Property
η 0.00 Pa×s 726.87 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Bromo-4,5-dimethoxyphenylacetonitrile. Acetic acid, 3,4-dimethoxyphenyl-. Benzeneacetic acid, 3,4-dimethoxy-, methyl ester. 3,4,5-Trimethoxyphenylacetic acid. Homovanillic acid. Ethyl 3,4-dimethoxyphenyl acetate. Benzeneacetic acid, 3,4-dimethoxy-, trimethylsilyl ester. 3,4-Methylenedioxyphenylacetic acid. Benzeneacetic acid, 4-hydroxy-3-methoxy-, methyl ester. 3,5-Dimethoxy-4-hydroxyphenylacetic acid. 3-Ethoxy-4-hydroxyphenylacetic acid. Ethyl homovanillate. Mandelic acid, 3,4-dimethoxy-, methyl ester. 3-Bromo-4-hydroxy-5-methoxyphenylacetonitrile. (3-methoxy-4-hexyloxy-phenyl)-acetic acid, methyl ester.

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