ChemSpider 2D Image | 1-Bromo-1,5-hexadiyne | C6H5Br

1-Bromo-1,5-hexadiyne

  • Molecular FormulaC6H5Br
  • Average mass157.008 Da
  • Monoisotopic mass155.957458 Da
  • ChemSpider ID57498586

More details:

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

1,5-Hexadiyne, 1-bromo- [ACD/Index Name]
1-Brom-1,5-hexadiin [German] [ACD/IUPAC Name]
1-Bromo-1,5-hexadiyne [ACD/IUPAC Name]
1-Bromo-1,5-hexadiyne [French] [ACD/IUPAC Name]
1-Bromohexa-1,5-diyne
66097-61-8 [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: 177.2±42.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.7±3.0 kJ/mol
Flash Point: 63.1±22.6 °C
Index of Refraction: 1.532
Molar Refractivity: 33.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.28
ACD/KOC (pH 5.5): 715.44
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.28
ACD/KOC (pH 7.4): 715.44
Polar Surface Area: 0 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 107.8±3.0 cm3

Click to predict properties on the Chemicalize site


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