ChemSpider 2D Image | 6-Bromo-3,5-hexadiyn-2-ol | C6H5BrO

6-Bromo-3,5-hexadiyn-2-ol

  • Molecular FormulaC6H5BrO
  • Average mass173.007 Da
  • Monoisotopic mass171.952377 Da
  • ChemSpider ID61034595

More details:

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

3,5-Hexadiyn-2-ol, 6-bromo- [ACD/Index Name]
6-Brom-3,5-hexadiin-2-ol [German] [ACD/IUPAC Name]
6-Bromo-3,5-hexadiyn-2-ol [ACD/IUPAC Name]
6-Bromo-3,5-hexadiyn-2-ol [French] [ACD/IUPAC Name]
89581-47-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 220.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.2±6.0 kJ/mol
Flash Point: 87.3±27.9 °C
Index of Refraction: 1.581
Molar Refractivity: 35.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.74
ACD/KOC (pH 5.5): 748.61
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.74
ACD/KOC (pH 7.4): 748.61
Polar Surface Area: 20 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 105.3±3.0 cm3

Click to predict properties on the Chemicalize site


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