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

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

  • Molecular FormulaC7H7Br
  • Average mass171.035 Da
  • Monoisotopic mass169.973099 Da
  • ChemSpider ID74140191

  • Double-bond stereo - Double-bond stereo

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 191.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 71.3±17.3 °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: 4.21
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.51
ACD/KOC (pH 5.5): 1746.33
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 237.51
ACD/KOC (pH 7.4): 1746.33
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


Advertisement