ChemSpider 2D Image | 2,2,2-Tribromoethyl (2S,3R)-2-(4-bromophenyl)-3-methylhexanoate | C15H18Br4O2

2,2,2-Tribromoethyl (2S,3R)-2-(4-bromophenyl)-3-methylhexanoate

  • Molecular FormulaC15H18Br4O2
  • Average mass549.918 Da
  • Monoisotopic mass545.804016 Da
  • ChemSpider ID75573281

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(4-Bromophényl)-3-méthylhexanoate de 2,2,2-tribromoéthyle [French] [ACD/IUPAC Name]
2,2,2-Tribromethyl-(2S,3R)-2-(4-bromphenyl)-3-methylhexanoat [German] [ACD/IUPAC Name]
2,2,2-Tribromoethyl (2S,3R)-2-(4-bromophenyl)-3-methylhexanoate [ACD/IUPAC Name]
Benzeneacetic acid, 4-bromo-α-[(1R)-1-methylbutyl]-, 2,2,2-tribromoethyl ester, (αS)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 501.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.9±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.00
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 88228.64
ACD/KOC (pH 5.5): 120683.23
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 88228.64
ACD/KOC (pH 7.4): 120683.23
Polar Surface Area: 26 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 298.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement