ChemSpider 2D Image | 2,2'-[(1E)-1-Phenyl-1-propene-3,3-diyl]bis(5,5-dimethyl-1,3-cyclohexanedione) | C25H30O4

2,2'-[(1E)-1-Phenyl-1-propene-3,3-diyl]bis(5,5-dimethyl-1,3-cyclohexanedione)

  • Molecular FormulaC25H30O4
  • Average mass394.503 Da
  • Monoisotopic mass394.214417 Da
  • ChemSpider ID34974733

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Cyclohexanedione, 2,2'-[(2E)-3-phenyl-2-propen-1-ylidene]bis[5,5-dimethyl- [ACD/Index Name]
2,2'-[(1E)-1-Phenyl-1-propen-3,3-diyl]bis(5,5-dimethyl-1,3-cyclohexandion) [German] [ACD/IUPAC Name]
2,2'-[(1E)-1-Phenyl-1-propene-3,3-diyl]bis(5,5-dimethyl-1,3-cyclohexanedione) [ACD/IUPAC Name]
2,2'-[(1E)-1-Phényl-1-propène-3,3-diyl]bis(5,5-diméthyl-1,3-cyclohexanedione) [French] [ACD/IUPAC Name]
1,3-cyclohexanedione, 2,2'-[(1E)-1-phenyl-1-propenylidene]bis[5,5-dimethyl-
2,2'-[(1E)-1-phenylprop-1-ene-3,3-diyl]bis(5,5-dimethylcyclohexane-1,3-dione)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 245.9±15.7 °C
Index of Refraction: 1.551
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 37.35
ACD/KOC (pH 5.5): 245.98
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.74
Polar Surface Area: 68 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 352.7±3.0 cm3

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