ChemSpider 2D Image | 1,3-Bis[3,5-bis(decyloxy)phenyl]-1,3-propanedione | C55H92O6

1,3-Bis[3,5-bis(decyloxy)phenyl]-1,3-propanedione

  • Molecular FormulaC55H92O6
  • Average mass849.315 Da
  • Monoisotopic mass848.689392 Da
  • ChemSpider ID28686000

More details:

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

1,3-Bis[3,5-bis(decyloxy)phenyl]-1,3-propandion [German] [ACD/IUPAC Name]
1,3-Bis[3,5-bis(decyloxy)phenyl]-1,3-propanedione [ACD/IUPAC Name]
1,3-Bis[3,5-bis(décyloxy)phényl]-1,3-propanedione [French] [ACD/IUPAC Name]
1,3-Propanedione, 1,3-bis[3,5-bis(decyloxy)phenyl]- [ACD/Index Name]
1,3-BIS[3,5-BIS(DECYLOXY)PHENYL]PROPANE-1,3-DIONE
142050-21-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 848.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 319.3±34.3 °C
Index of Refraction: 1.497
Molar Refractivity: 259.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 22.63
ACD/LogD (pH 5.5): 21.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 71 Å2
Polarizability: 102.8±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 887.1±3.0 cm3

Click to predict properties on the Chemicalize site


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