ChemSpider 2D Image | (3E)-1,4,5-Trichloro-3,5-hexadien-2-one | C6H5Cl3O

(3E)-1,4,5-Trichloro-3,5-hexadien-2-one

  • Molecular FormulaC6H5Cl3O
  • Average mass199.462 Da
  • Monoisotopic mass197.940598 Da
  • ChemSpider ID102070062

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1,4,5-Trichlor-3,5-hexadien-2-on [German] [ACD/IUPAC Name]
(3E)-1,4,5-Trichloro-3,5-hexadien-2-one [ACD/IUPAC Name]
(3E)-1,4,5-Trichloro-3,5-hexadién-2-one [French] [ACD/IUPAC Name]
3,5-Hexadien-2-one, 1,4,5-trichloro-, (3E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 247.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 101.4±27.9 °C
Index of Refraction: 1.508
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.13
ACD/KOC (pH 5.5): 407.75
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.13
ACD/KOC (pH 7.4): 407.75
Polar Surface Area: 17 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 147.2±3.0 cm3

Click to predict properties on the Chemicalize site


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