ChemSpider 2D Image | Ethyl 2-(4-bromobenzyl)butanoate | C13H17BrO2

Ethyl 2-(4-bromobenzyl)butanoate

  • Molecular FormulaC13H17BrO2
  • Average mass285.177 Da
  • Monoisotopic mass284.041199 Da
  • ChemSpider ID73128511

More details:

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

2-(4-Bromobenzyl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-bromo-α-ethyl-, ethyl ester [ACD/Index Name]
Ethyl 2-(4-bromobenzyl)butanoate [ACD/IUPAC Name]
Ethyl-2-(4-brombenzyl)butanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 329.2±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 152.9±20.9 °C
Index of Refraction: 1.520
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 706.01
ACD/KOC (pH 5.5): 3808.72
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 706.01
ACD/KOC (pH 7.4): 3808.72
Polar Surface Area: 26 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 224.8±3.0 cm3

Click to predict properties on the Chemicalize site


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