ChemSpider 2D Image | 1,1'-{[2-Hydroxy(~2~H_5_)-1,3-propanediyl]bis(oxy-2,1-phenylene)}bis(3-phenyl-1-propanone) | C33H27D5O5

1,1'-{[2-Hydroxy(2H5)-1,3-propanediyl]bis(oxy-2,1-phenylene)}bis(3-phenyl-1-propanone)

  • Molecular FormulaC33H27D5O5
  • Average mass513.635 Da
  • Monoisotopic mass513.256348 Da
  • ChemSpider ID48060562

  • Non-standard isotope - Non-standard isotope

More details:

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

1,1'-{[2-Hydroxy(2H5)-1,3-propandiyl]bis(oxy-2,1-phenylen)}bis(3-phenyl-1-propanon) [German] [ACD/IUPAC Name]
1,1'-{[2-Hydroxy(2H5)-1,3-propanediyl]bis(oxy-2,1-phenylene)}bis(3-phenyl-1-propanone) [ACD/IUPAC Name]
1,1'-{[2-Hydroxy(2H5)-1,3-propanediyl]bis(oxy-2,1-phénylène)}bis(3-phényl-1-propanone) [French] [ACD/IUPAC Name]
1-Propanone, 1,1'-[(2-hydroxy-1,3-propanediyl-1,1,2,3,3-d5)bis(oxy-2,1-phenylene)]bis[3-phenyl- [ACD/Index Name]
1-[2-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propoxy]phenyl]-3-phenylpropan-1-one
1330053-58-1 [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: 701.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 226.3±26.4 °C
Index of Refraction: 1.605
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31147.83
ACD/KOC (pH 5.5): 57276.95
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31147.79
ACD/KOC (pH 7.4): 57276.89
Polar Surface Area: 73 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 430.2±3.0 cm3

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