ChemSpider 2D Image | 3,4-Hexanediyldi-4,1-phenylene bis(bromoacetate) | C22H24Br2O4

3,4-Hexanediyldi-4,1-phenylene bis(bromoacetate)

  • Molecular FormulaC22H24Br2O4
  • Average mass512.232 Da
  • Monoisotopic mass510.004120 Da
  • ChemSpider ID117989

More details:

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

3,4-Hexandiyldi-4,1-phenylen-bis(bromacetat) [German] [ACD/IUPAC Name]
3,4-Hexanediyldi-4,1-phenylene bis(bromoacetate) [ACD/IUPAC Name]
Acetic acid, 2-bromo-, (1,2-diethyl-1,2-ethanediyl)di-4,1-phenylene ester [ACD/Index Name]
Bis(bromoacétate) de 3,4-hexanediyldi-4,1-phénylène [French] [ACD/IUPAC Name]
81916-73-6 [RN]
86559-73-1 [RN]
Bis(bromoacetyl)hexestrol
Bisbromoacetyl hexestrol
Hexane-3,4-diylbis(4,1-phenylene) bis(2-bromoacetate)
HEXANE-3,4-DIYLDIBENZENE-4,1-DIYL BIS(BROMOACETATE)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 528.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.4±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21759.50
ACD/KOC (pH 5.5): 44307.25
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21759.50
ACD/KOC (pH 7.4): 44307.25
Polar Surface Area: 53 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 352.1±3.0 cm3

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