ChemSpider 2D Image | 2-ethylhexyl-2,3,4,5-tetrabromobenzoate | C15H19Br4O2

2-ethylhexyl-2,3,4,5-tetrabromobenzoate

  • Molecular FormulaC15H19Br4O2
  • Average mass550.927 Da
  • Monoisotopic mass546.812378 Da
  • ChemSpider ID24773400
  • Charge - Charge


More details:






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

2,4-Cyclohexadiene-1-carboxylic acid, 3,4,5,6-tetrabromo-6-(1-ethylhexyl)-, ion(1-) [ACD/Index Name]
2-ethylhexyl-2,3,4,5-tetrabromobenzoate
3,4,5,6-Tetrabrom-6-(3-octanyl)-2,4-cyclohexadien-1-carboxylat [German] [ACD/IUPAC Name]
3,4,5,6-Tetrabromo-6-(3-octanyl)-2,4-cyclohexadiene-1-carboxylate [ACD/IUPAC Name]
3,4,5,6-Tétrabromo-6-(3-octanyl)-2,4-cyclohexadiène-1-carboxylate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 497.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 254.5±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.84
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 550.99
ACD/KOC (pH 5.5): 445.69
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 105.31
ACD/KOC (pH 7.4): 85.18
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

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