ChemSpider 2D Image | (2R,5S)-1,4-Dioxane-2,5-diyldimethanol | C6H12O4

(2R,5S)-1,4-Dioxane-2,5-diyldimethanol

  • Molecular FormulaC6H12O4
  • Average mass148.157 Da
  • Monoisotopic mass148.073563 Da
  • ChemSpider ID18714419

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,5S)-1,4-Dioxan-2,5-diyldimethanol [German] [ACD/IUPAC Name]
(2R,5S)-1,4-Dioxane-2,5-diyldimethanol [ACD/IUPAC Name]
(2R,5S)-1,4-Dioxane-2,5-diyldiméthanol [French] [ACD/IUPAC Name]
[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol
1,4-Dioxane-2,5-dimethanol, (2R,5S)- [ACD/Index Name]
87133-52-6 [RN]
(trans-1,4-Dioxane-2,5-diyl)dimethanol
[(2R,5S)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol
452055-83-3 [RN]
CS-4156
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 294.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.9±6.0 kJ/mol
Flash Point: 131.7±20.4 °C
Index of Refraction: 1.455
Molar Refractivity: 34.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.30
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.30
Polar Surface Area: 59 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 125.7±3.0 cm3

Click to predict properties on the Chemicalize site


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