ChemSpider 2D Image | (1E,4E)-1,5-Bis[2-(trifluoromethyl)phenyl]-1,4-pentadien-3-one | C19H12F6O

(1E,4E)-1,5-Bis[2-(trifluoromethyl)phenyl]-1,4-pentadien-3-one

  • Molecular FormulaC19H12F6O
  • Average mass370.288 Da
  • Monoisotopic mass370.079224 Da
  • ChemSpider ID24697426

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,4E)-1,5-Bis[2-(trifluormethyl)phenyl]-1,4-pentadien-3-on [German] [ACD/IUPAC Name]
(1E,4E)-1,5-Bis[2-(trifluoromethyl)phenyl]-1,4-pentadien-3-one [ACD/IUPAC Name]
(1E,4E)-1,5-Bis[2-(trifluorométhyl)phényl]-1,4-pentadién-3-one [French] [ACD/IUPAC Name]
1,4-Pentadien-3-one, 1,5-bis[2-(trifluoromethyl)phenyl]-, (1E,4E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL476424/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 151.9±22.1 °C
Index of Refraction: 1.538
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13595.66
ACD/KOC (pH 5.5): 31642.89
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13595.66
ACD/KOC (pH 7.4): 31642.89
Polar Surface Area: 17 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 279.9±3.0 cm3

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