ChemSpider 2D Image | Methyl 3-bromo-4-isopropylbenzoate | C11H13BrO2

Methyl 3-bromo-4-isopropylbenzoate

  • Molecular FormulaC11H13BrO2
  • Average mass257.124 Da
  • Monoisotopic mass256.009888 Da
  • ChemSpider ID10713214

More details:






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

3-Bromo-4-isopropylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(1-methylethyl)-, methyl ester [ACD/Index Name]
Methyl 3-bromo-4-isopropylbenzoate [ACD/IUPAC Name]
Methyl-3-brom-4-isopropylbenzoat [German] [ACD/IUPAC Name]
318528-55-1 [RN]
methyl 3-bromo-4-(methylethyl)benzoate
methyl3-bromo-4-isopropylbenzoate
methyl-3-bromo-4-isopropylbenzoate
MFCD11112995 [MDL number]
QA-1006

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 298.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 134.4±21.8 °C
Index of Refraction: 1.531
Molar Refractivity: 59.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 428.37
ACD/KOC (pH 5.5): 2663.56
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 428.37
ACD/KOC (pH 7.4): 2663.56
Polar Surface Area: 26 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 193.6±3.0 cm3

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