ChemSpider 2D Image | 1-Bromo-3-(2-propyn-1-yloxy)-1-propyne | C6H5BrO

1-Bromo-3-(2-propyn-1-yloxy)-1-propyne

  • Molecular FormulaC6H5BrO
  • Average mass173.007 Da
  • Monoisotopic mass171.952377 Da
  • ChemSpider ID57498575

More details:

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

1-Brom-3-(2-propin-1-yloxy)-1-propin [German] [ACD/IUPAC Name]
1-Bromo-3-(2-propyn-1-yloxy)-1-propyne [ACD/IUPAC Name]
1-Bromo-3-(2-propyn-1-yloxy)-1-propyne [French] [ACD/IUPAC Name]
1-Propyne, 1-bromo-3-(2-propyn-1-yloxy)- [ACD/Index Name]
1-Bromo-3-[(prop-2-yn-1-yl)oxy]prop-1-yne
1-PROPYNE, 1-BROMO-3-(2-PROPYNYLOXY)-
63257-86-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 210.0±46.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.8±3.0 kJ/mol
Flash Point: 80.5±27.5 °C
Index of Refraction: 1.528
Molar Refractivity: 35.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 56.09
ACD/KOC (pH 5.5): 621.50
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 56.09
ACD/KOC (pH 7.4): 621.50
Polar Surface Area: 9 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 114.2±3.0 cm3

Click to predict properties on the Chemicalize site


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