ChemSpider 2D Image | 3,3'-hexane-3,4-diylbis(6-bromophenol) | C18H20Br2O2

3,3'-hexane-3,4-diylbis(6-bromophenol)

  • Molecular FormulaC18H20Br2O2
  • Average mass428.158 Da
  • Monoisotopic mass425.983002 Da
  • ChemSpider ID23226307

More details:

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

3,3'-(3,4-Hexandiyl)bis(6-bromphenol) [German] [ACD/IUPAC Name]
3,3'-(3,4-Hexanediyl)bis(6-bromophenol) [ACD/IUPAC Name]
3,3'-(3,4-Hexanediyl)bis(6-bromophénol) [French] [ACD/IUPAC Name]
3,3'-hexane-3,4-diylbis(6-bromophenol)
Phenol, 3,3'-(1,2-diethyl-1,2-ethanediyl)bis[6-bromo- [ACD/Index Name]
2-bromo-5-[2-(4-bromo-3-hydroxyphenyl)-1-ethylbutyl]phenol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL347096/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 471.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 238.9±27.3 °C
Index of Refraction: 1.618
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26440.04
ACD/KOC (pH 5.5): 50901.87
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 21956.48
ACD/KOC (pH 7.4): 42270.20
Polar Surface Area: 40 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 279.7±3.0 cm3

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