ChemSpider 2D Image | 2-(4-Bromophenyl)-2-oxoethyl 2-methylbenzoate | C16H13BrO3

2-(4-Bromophenyl)-2-oxoethyl 2-methylbenzoate

  • Molecular FormulaC16H13BrO3
  • Average mass333.177 Da
  • Monoisotopic mass332.004791 Da
  • ChemSpider ID23552851

More details:

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

2-(4-Bromophenyl)-2-oxoethyl 2-methylbenzoate [ACD/IUPAC Name]
2-(4-Bromphenyl)-2-oxoethyl-2-methylbenzoat [German] [ACD/IUPAC Name]
2-Méthylbenzoate de 2-(4-bromophényl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-methyl-, 2-(4-bromophenyl)-2-oxoethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 471.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.2±25.9 °C
Index of Refraction: 1.595
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1977.35
ACD/KOC (pH 5.5): 7960.38
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1977.35
ACD/KOC (pH 7.4): 7960.38
Polar Surface Area: 43 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

Click to predict properties on the Chemicalize site


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