Chemical Properties of 3-Bromobenzoic acid, 3-methylbut-2-yl ester

3-Bromobenzoic acid, 3-methylbut-2-yl ester

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InChI
InChI=1S/C12H15BrO2/c1-8(2)9(3)15-12(14)10-5-4-6-11(13)7-10/h4-9H,1-3H3
InChI Key
ZFQKOCHXRZEJJJ-UHFFFAOYSA-N
Formula
C12H15BrO2
SMILES
CC(C)C(C)OC(=O)c1cccc(Br)c1
Molecular Weight1
271.15
Sources

Physical Properties

Property Value Unit Source
Δf -71.54 kJ/mol Joback Calculated Property
Δfgas -294.98 kJ/mol Joback Calculated Property
Δfus 21.51 kJ/mol Joback Calculated Property
Δvap 60.06 kJ/mol Joback Calculated Property
logPoct/wat 3.65 Crippen Calculated Property
Pc 2704.22 kPa Joback Calculated Property
Tboil 647.19 K Joback Calculated Property
Tc 875.08 K Joback Calculated Property
Tfus 365.90 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 434.91 J/mol×K 647.19 Joback Calculated Property
η 0.00 Pa×s 647.19 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
=CH- (ring) 4
=C< (ring) 2
>C=O (nonring) 1
-Br 1

Similar Compounds

3-Bromobenzoic acid, 2-methylpentyl ester. 3-Bromobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Bromobenzoic acid, 3-methylbutyl ester. Benzoic acid, 3-bromo-, ethyl ester. 3-Bromobenzoic acid, but-3-yn-2-yl ester. 3-Bromobenzoic acid, hex-4-yn-3-yl ester. Benzoic acid, 1,2-dimethylpropyl ester. Benzoic acid, 3,3-dimethylbut-2-yl ester. 4-Methylbenzoic acid, 3-methylbut-2-yl ester. Benzoic acid, 2,4-dimethylpent-3-yl ester. Terephthalic acid, isobutyl 3-methylbut-2-yl ester. Terephthalic acid, di(3-methylbut-2-yl) ester. 2-Bromobenzoic acid, 3-methylbut-2-yl ester. 3-Bromobenzoic acid. 3-methylbut-2-enyl ester. Benzoic acid, 3-bromo-, methyl ester.

Find more compounds similar to 3-Bromobenzoic acid, 3-methylbut-2-yl ester.

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