ChemSpider 2D Image | trans-2-Benzyl-1,3-dioxan-5-ol | C11H14O3

trans-2-Benzyl-1,3-dioxan-5-ol

  • Molecular FormulaC11H14O3
  • Average mass194.227 Da
  • Monoisotopic mass194.094299 Da
  • ChemSpider ID32701016

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Dioxan-5-ol, 2-(phenylmethyl)-, trans- [ACD/Index Name]
trans-2-Benzyl-1,3-dioxan-5-ol [ACD/IUPAC Name]
trans-2-Benzyl-1,3-dioxan-5-ol [German] [ACD/IUPAC Name]
trans-2-Benzyl-1,3-dioxan-5-ol [French] [ACD/IUPAC Name]

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

SC0BU1F8LI [DBID]
UNII:SC0BU1F8LI [DBID]
UNII-SC0BU1F8LI [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 337.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 158.0±23.7 °C
Index of Refraction: 1.553
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.71
ACD/KOC (pH 5.5): 121.06
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.71
ACD/KOC (pH 7.4): 121.06
Polar Surface Area: 39 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 163.8±3.0 cm3

Click to predict properties on the Chemicalize site


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