ChemSpider 2D Image | (2S)-1,4-Dioxane-2,5-diol | C4H8O4

(2S)-1,4-Dioxane-2,5-diol

  • Molecular FormulaC4H8O4
  • Average mass120.104 Da
  • Monoisotopic mass120.042259 Da
  • ChemSpider ID57578593

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-1,4-Dioxan-2,5-diol [German] [ACD/IUPAC Name]
(2S)-1,4-Dioxane-2,5-diol [ACD/IUPAC Name]
(2S)-1,4-Dioxane-2,5-diol [French] [ACD/IUPAC Name]
1,4-Dioxane-2,5-diol, (2S)- [ACD/Index Name]
1,4-Dioxane-2,5-diol [ACD/Index Name] [ACD/IUPAC Name]
1933791-31-1 [RN]
23147-58-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 312.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.2±6.0 kJ/mol
Flash Point: 142.8±27.9 °C
Index of Refraction: 1.514
Molar Refractivity: 24.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.61
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.61
Polar Surface Area: 59 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 82.5±3.0 cm3

Click to predict properties on the Chemicalize site


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