Chemical Properties of 3-Bromobenzoic acid. 3-methylbut-2-enyl ester

3-Bromobenzoic acid. 3-methylbut-2-enyl ester

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InChI
InChI=1S/C12H13BrO2/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-6,8H,7H2,1-2H3
InChI Key
SCHFXORPCOMCOF-UHFFFAOYSA-N
Formula
C12H13BrO2
SMILES
CC(C)=CCOC(=O)c1cccc(Br)c1
Molecular Weight1
269.13
Sources

Physical Properties

Property Value Unit Source
Δf 5.01 kJ/mol Joback Calculated Property
Δfgas -176.99 kJ/mol Joback Calculated Property
Δfus 27.45 kJ/mol Joback Calculated Property
Δvap 60.87 kJ/mol Joback Calculated Property
logPoct/wat 3.57 Crippen Calculated Property
Pc 2823.32 kPa Joback Calculated Property
Tboil 652.11 K Joback Calculated Property
Tc 884.01 K Joback Calculated Property
Tfus 376.86 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 411.62 J/mol×K 652.11 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Bromobenzoic acid, pent-2-en-4-ynyl ester. 3-Bromobenzoic acid, undec-2-enyl ester. Benzoic acid, 3-bromo-, ethyl ester. 3-Bromobenzoic acid, oct-3-en-2-yl ester. Benzoic acid, 3-bromo-, methyl ester. 3-Bromobenzoic acid, 3-methylbutyl ester. 3-Bromobenzoic acid, but-3-yn-2-yl ester. 4-Bromobenzoic acid, 3-methylbut-2-enyl ester. Methyl 3,5-dibromobenzoate. 2-Buten-1-ol, 3-methyl-, benzoate. 3-Bromobenzoic acid, tridec-2-ynyl ester. 3-Bromobenzoic acid, 3-methylbut-2-yl ester. 3-Bromobenzoic acid, 2-methylpentyl ester. 3-Bromobenzoic acid, 4-methoxy-2-methylbutyl ester. P-toluic acid, 3-methylbut-2-enyl ester.

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

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