ChemSpider 2D Image | (1E,4E)-1,5-Bis(2,4-dimethylphenyl)-1,4-pentadien-3-one | C21H22O

(1E,4E)-1,5-Bis(2,4-dimethylphenyl)-1,4-pentadien-3-one

  • Molecular FormulaC21H22O
  • Average mass290.399 Da
  • Monoisotopic mass290.167053 Da
  • ChemSpider ID24670586
  • Double-bond stereo - Double-bond stereo


More details:






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

(1E,4E)-1,5-Bis(2,4-dimethylphenyl)-1,4-pentadien-3-on [German] [ACD/IUPAC Name]
(1E,4E)-1,5-Bis(2,4-dimethylphenyl)-1,4-pentadien-3-one [ACD/IUPAC Name]
(1E,4E)-1,5-Bis(2,4-diméthylphényl)-1,4-pentadién-3-one [French] [ACD/IUPAC Name]
1,4-Pentadien-3-one, 1,5-bis(2,4-dimethylphenyl)-, (1E,4E)- [ACD/Index Name]
O=C(\C=C\c1ccc(C)cc1C)\C=C\c1ccc(C)cc1C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 448.6±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 195.0±20.6 °C
Index of Refraction: 1.614
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14242.07
ACD/KOC (pH 5.5): 32712.65
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14242.07
ACD/KOC (pH 7.4): 32712.65
Polar Surface Area: 17 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 278.0±3.0 cm3

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