ChemSpider 2D Image | (1E,6E)-1,7-Bis(4-chlorophenyl)-4,4-dimethyl-1,6-heptadiene-3,5-dione | C21H18Cl2O2

(1E,6E)-1,7-Bis(4-chlorophenyl)-4,4-dimethyl-1,6-heptadiene-3,5-dione

  • Molecular FormulaC21H18Cl2O2
  • Average mass373.272 Da
  • Monoisotopic mass372.068390 Da
  • ChemSpider ID31115963

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,6E)-1,7-Bis(4-chlorophenyl)-4,4-dimethyl-1,6-heptadiene-3,5-dione [ACD/IUPAC Name]
(1E,6E)-1,7-Bis(4-chlorophényl)-4,4-diméthyl-1,6-heptadiène-3,5-dione [French] [ACD/IUPAC Name]
(1E,6E)-1,7-Bis(4-chlorphenyl)-4,4-dimethyl-1,6-heptadien-3,5-dion [German] [ACD/IUPAC Name]
1,6-Heptadiene-3,5-dione, 1,7-bis(4-chlorophenyl)-4,4-dimethyl-, (1E,6E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 221.4±29.3 °C
Index of Refraction: 1.624
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11856.08
ACD/KOC (pH 5.5): 28689.04
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11856.08
ACD/KOC (pH 7.4): 28689.04
Polar Surface Area: 34 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 300.0±3.0 cm3

Click to predict properties on the Chemicalize site


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