ChemSpider 2D Image | 3-Bromo-5-(2-methyl-2-propanyl)benzoic acid | C11H13BrO2

3-Bromo-5-(2-methyl-2-propanyl)benzoic acid

  • Molecular FormulaC11H13BrO2
  • Average mass257.124 Da
  • Monoisotopic mass256.009888 Da
  • ChemSpider ID24609575

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Brom-5-(2-methyl-2-propanyl)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-5-(2-methyl-2-propanyl)benzoic acid [ACD/IUPAC Name]
Acide 3-bromo-5-(2-méthyl-2-propanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-5-(1,1-dimethylethyl)- [ACD/Index Name]
3-bromo-5-(1,1-dimethylethyl)Benzoic acid
3-Bromo-5-(tert-butyl)benzoic acid
3-Bromo-5-(tert-butyl)benzoicacid
3-Bromo-5-tert-butylbenzoic acid
3-Bromo-5-tert-butyl-benzoic acid
3-bromo-5-tert-butylbenzoicacid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 320.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 147.8±25.9 °C
Index of Refraction: 1.554
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 17.23
ACD/KOC (pH 5.5): 94.49
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.77
Polar Surface Area: 37 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 184.8±3.0 cm3

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