ChemSpider 2D Image | (2R,2'S)-3,3'-[2,2-Propanediylbis(4,1-phenyleneoxy)]di(1,2-propanediol) | C21H28O6

(2R,2'S)-3,3'-[2,2-Propanediylbis(4,1-phenyleneoxy)]di(1,2-propanediol)

  • Molecular FormulaC21H28O6
  • Average mass376.443 Da
  • Monoisotopic mass376.188599 Da
  • ChemSpider ID62568733
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,2'S)-3,3'-[2,2-Propandiylbis(4,1-phenylenoxy)]di(1,2-propandiol) [German] [ACD/IUPAC Name]
(2R,2'S)-3,3'-[2,2-Propanediylbis(4,1-phenyleneoxy)]di(1,2-propanediol) [ACD/IUPAC Name]
(2R,2'S)-3,3'-[2,2-Propanediylbis(4,1-phénylèneoxy)]di(1,2-propanediol) [French] [ACD/IUPAC Name]
(2S,2'R)-3,3'-[2,2-Propandiylbis(4,1-phenylenoxy)]di(1,2-propandiol) [German] [ACD/IUPAC Name]
(2S,2'R)-3,3'-[2,2-Propanediylbis(4,1-phenyleneoxy)]di(1,2-propanediol) [ACD/IUPAC Name]
(2S,2'R)-3,3'-[2,2-Propanediylbis(4,1-phénylèneoxy)]di(1,2-propanediol) [French] [ACD/IUPAC Name]
1,2-Propanediol, 3,3'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-, (2R,2'S)- [ACD/Index Name]
1,2-Propanediol, 3,3'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-, (2S,2'R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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