ChemSpider 2D Image | (2E)-7-Bromo-2-heptene-4,6-diyn-1-ol | C7H5BrO

(2E)-7-Bromo-2-heptene-4,6-diyn-1-ol

  • Molecular FormulaC7H5BrO
  • Average mass185.018 Da
  • Monoisotopic mass183.952377 Da
  • ChemSpider ID60998308
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-7-Brom-2-hepten-4,6-diin-1-ol [German] [ACD/IUPAC Name]
(2E)-7-Bromo-2-heptene-4,6-diyn-1-ol [ACD/IUPAC Name]
(2E)-7-Bromo-2-heptène-4,6-diyn-1-ol [French] [ACD/IUPAC Name]
2-Heptene-4,6-diyn-1-ol, 7-bromo-, (2E)- [ACD/Index Name]
80050-40-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 278.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 122.3±27.9 °C
Index of Refraction: 1.609
Molar Refractivity: 39.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.27
ACD/KOC (pH 5.5): 982.01
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.27
ACD/KOC (pH 7.4): 982.01
Polar Surface Area: 20 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 115.0±3.0 cm3

Click to predict properties on the Chemicalize site






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