Found 76 results

Search term: MF = 'C_{31}H_{28}O_{4}'
ChemSpider 2D Image | 3,3-Bis(3-phenoxybenzyl)-2,4-pentanedione | C31H28O4

3,3-Bis(3-phenoxybenzyl)-2,4-pentanedione

  • Molecular FormulaC31H28O4
  • Average mass464.552 Da
  • Monoisotopic mass464.198761 Da
  • ChemSpider ID57499914

More details:

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

2,4-Pentanedione, 3,3-bis[(3-phenoxyphenyl)methyl]- [ACD/Index Name]
3,3-Bis(3-phenoxybenzyl)-2,4-pentandion [German] [ACD/IUPAC Name]
3,3-Bis(3-phenoxybenzyl)-2,4-pentanedione [ACD/IUPAC Name]
3,3-Bis(3-phénoxybenzyl)-2,4-pentanedione [French] [ACD/IUPAC Name]
3,3-Bis[(3-phenoxyphenyl)methyl]pentane-2,4-dione
90137-65-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 583.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 247.0±30.2 °C
Index of Refraction: 1.596
Molar Refractivity: 136.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49288.02
ACD/KOC (pH 5.5): 79551.19
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49288.02
ACD/KOC (pH 7.4): 79551.19
Polar Surface Area: 53 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 400.9±3.0 cm3

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