ChemSpider 2D Image | Diethyl 2,5-dibromo-3,6-dihydroxyterephthalate | C12H12Br2O6

Diethyl 2,5-dibromo-3,6-dihydroxyterephthalate

  • Molecular FormulaC12H12Br2O6
  • Average mass412.028 Da
  • Monoisotopic mass409.900055 Da
  • ChemSpider ID21140809

More details:

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

1,4-Benzenedicarboxylic acid, 2,5-dibromo-3,6-dihydroxy-, diethyl ester [ACD/Index Name]
2,5-Dibromo-3,6-dihydroxytéréphtalate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 2,5-dibromo-3,6-dihydroxyterephthalate [ACD/IUPAC Name]
Diethyl-2,5-dibrom-3,6-dihydroxyterephthalat [German] [ACD/IUPAC Name]
181135-51-3 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 412.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 203.5±27.3 °C
Index of Refraction: 1.604
Molar Refractivity: 78.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11643.45
ACD/KOC (pH 5.5): 28122.49
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 3864.69
ACD/KOC (pH 7.4): 9334.42
Polar Surface Area: 93 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 227.5±3.0 cm3

Click to predict properties on the Chemicalize site


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