ChemSpider 2D Image | 1,2,5,6-Heptatetraen-4-one | C7H6O

1,2,5,6-Heptatetraen-4-one

  • Molecular FormulaC7H6O
  • Average mass106.122 Da
  • Monoisotopic mass106.041862 Da
  • ChemSpider ID24807701

More details:

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

1,2,5,6-Heptatetraen-4-on [German] [ACD/IUPAC Name]
1,2,5,6-Heptatetraen-4-one [ACD/Index Name] [ACD/IUPAC Name]
1,2,5,6-Heptatétraén-4-one [French] [ACD/IUPAC Name]
allenyl ketone

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

Density: 0.8±0.1 g/cm3
Boiling Point: 187.1±7.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.3±3.0 kJ/mol
Flash Point: 65.7±13.1 °C
Index of Refraction: 1.440
Molar Refractivity: 33.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.21
ACD/KOC (pH 5.5): 128.62
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.21
ACD/KOC (pH 7.4): 128.62
Polar Surface Area: 17 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 7.2±3.0 dyne/cm
Molar Volume: 128.7±3.0 cm3

Click to predict properties on the Chemicalize site


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