Chemical Properties of 3-Bromobenzoic acid, 2-methylpentyl ester

3-Bromobenzoic acid, 2-methylpentyl ester

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InChI
InChI=1S/C13H17BrO2/c1-3-5-10(2)9-16-13(15)11-6-4-7-12(14)8-11/h4,6-8,10H,3,5,9H2,1-2H3
InChI Key
VFPGFAUNHBHMLT-UHFFFAOYSA-N
Formula
C13H17BrO2
SMILES
CCCC(C)COC(=O)c1cccc(Br)c1
Molecular Weight1
285.18
Sources

Physical Properties

Property Value Unit Source
Δf -60.68 kJ/mol Joback Calculated Property
Δfgas -310.34 kJ/mol Joback Calculated Property
Δfus 27.63 kJ/mol Joback Calculated Property
Δvap 62.67 kJ/mol Joback Calculated Property
logPoct/wat 4.04 Crippen Calculated Property
Pc 2433.84 kPa Joback Calculated Property
Tboil 670.51 K Joback Calculated Property
Tc 889.92 K Joback Calculated Property
Tfus 392.17 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 485.07 J/mol×K 670.51 Joback Calculated Property
η 0.00 Pa×s 670.51 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
>C=O (nonring) 1
-Br 1

Similar Compounds

3-Bromobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Bromobenzoic acid, 3-methylbutyl ester. 3-Bromobenzoic acid, 3-methylbut-2-yl ester. Benzoic acid, 3-bromo-, ethyl ester. Benzoic acid, 2-methylpentyl ester. Terephthalic acid, 3-bromobenzyl hexyl ester. Terephthalic acid, 3-bromobenzyl heptyl ester. Terephthalic acid, 3-bromobenzyl pentyl ester. 2-Bromobenzoic acid, 2-methylpentyl ester. 4-Methylbenzoic acid, 2-methylpentyl ester. Benzoic acid, 2-ethylhexyl ester. 2-Methylbutyl benzoate. 3-Bromobenzoic acid, but-3-yn-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, 2-methylpentyl ester.

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