ChemSpider 2D Image | (1E,5E)-1-Bromo-1,5-heptadien-3-yne | C7H7Br

(1E,5E)-1-Bromo-1,5-heptadien-3-yne

  • Molecular FormulaC7H7Br
  • Average mass171.035 Da
  • Monoisotopic mass169.973099 Da
  • ChemSpider ID61837777

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,5E)-1-Brom-1,5-heptadien-3-in [German] [ACD/IUPAC Name]
(1E,5E)-1-Bromo-1,5-heptadien-3-yne [ACD/IUPAC Name]
(1E,5E)-1-Bromo-1,5-heptadién-3-yne [French] [ACD/IUPAC Name]
1,5-Heptadien-3-yne, 1-bromo-, (1E,5E)- [ACD/Index Name]
259129-33-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 160.4±23.0 °C at 760 mmHg
Vapour Pressure: 3.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.1±3.0 kJ/mol
Flash Point: 53.3±17.0 °C
Index of Refraction: 1.544
Molar Refractivity: 40.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.55
ACD/KOC (pH 5.5): 861.83
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.55
ACD/KOC (pH 7.4): 861.83
Polar Surface Area: 0 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 127.8±3.0 cm3

Click to predict properties on the Chemicalize site


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