ChemSpider 2D Image | (2r,2'r)-3,3'-Oxydipropane-1,2-Diol | C6H14O5

(2r,2'r)-3,3'-Oxydipropane-1,2-Diol

  • Molecular FormulaC6H14O5
  • Average mass166.172 Da
  • Monoisotopic mass166.084122 Da
  • ChemSpider ID34984201

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,2'R)-3,3'-Oxydi(1,2-propandiol) [German] [ACD/IUPAC Name]
(2R,2'R)-3,3'-Oxydi(1,2-propanediol) [ACD/IUPAC Name]
(2R,2'R)-3,3'-Oxydi(1,2-propanediol) [French] [ACD/IUPAC Name]
(2r,2'r)-3,3'-Oxydipropane-1,2-Diol
1,2-Propanediol, 3,3'-oxybis-, (2R,2'R)- [ACD/Index Name]
1AX
211-013-8 [EINECS]
261-605-5 [EINECS]
59113-36-9 [RN]
627-82-7 [RN]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 407.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 76.1±6.0 kJ/mol
Flash Point: 200.0±27.3 °C
Index of Refraction: 1.516
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 90 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 124.7±3.0 cm3

Click to predict properties on the Chemicalize site


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