ChemSpider 2D Image | 3,3'-{2,2-Propanediylbis[(~2~H_4_)-4,1-phenyleneoxy]}di(1,2-propanediol) | C21H20D8O6

3,3'-{2,2-Propanediylbis[(2H4)-4,1-phenyleneoxy]}di(1,2-propanediol)

  • Molecular FormulaC21H20D8O6
  • Average mass384.493 Da
  • Monoisotopic mass384.238800 Da
  • ChemSpider ID107439396

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Propanediol, 3,3'-[(1-methylethylidene)bis(4,1-phenylene-d4-oxy)]bis- [ACD/Index Name]
3,3'-{2,2-Propandiylbis[(2H4)-4,1-phenylenoxy]}di(1,2-propandiol) [German] [ACD/IUPAC Name]
3,3'-{2,2-Propanediylbis[(2H4)-4,1-phenyleneoxy]}di(1,2-propanediol) [ACD/IUPAC Name]
3,3'-{2,2-Propanediylbis[(2H4)-4,1-phénylèneoxy]}di(1,2-propanediol) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.6±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.83
ACD/KOC (pH 5.5): 239.79
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.83
ACD/KOC (pH 7.4): 239.79
Polar Surface Area: 99 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 307.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement