ChemSpider 2D Image | (1E,4E)-1-(3-Allyl-4-methoxyphenyl)-5-(2,3-dichlorophenyl)-1,4-pentadien-3-one | C21H18Cl2O2

(1E,4E)-1-(3-Allyl-4-methoxyphenyl)-5-(2,3-dichlorophenyl)-1,4-pentadien-3-one

  • Molecular FormulaC21H18Cl2O2
  • Average mass373.272 Da
  • Monoisotopic mass372.068390 Da
  • ChemSpider ID31140378

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,4E)-1-(3-Allyl-4-methoxyphenyl)-5-(2,3-dichlorophenyl)-1,4-pentadien-3-one [ACD/IUPAC Name]
(1E,4E)-1-(3-Allyl-4-méthoxyphényl)-5-(2,3-dichlorophényl)-1,4-pentadién-3-one [French] [ACD/IUPAC Name]
(1E,4E)-1-(3-Allyl-4-methoxyphenyl)-5-(2,3-dichlorphenyl)-1,4-pentadien-3-on [German] [ACD/IUPAC Name]
1,4-Pentadien-3-one, 1-(2,3-dichlorophenyl)-5-[4-methoxy-3-(2-propen-1-yl)phenyl]-, (1E,4E)- [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: 528.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 191.6±29.1 °C
Index of Refraction: 1.626
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9671.47
ACD/KOC (pH 5.5): 24797.36
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9671.47
ACD/KOC (pH 7.4): 24797.36
Polar Surface Area: 26 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 305.2±3.0 cm3

Click to predict properties on the Chemicalize site


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