ChemSpider 2D Image | (4S)-4-Methyl-4-phenyl-1,3-dioxane | C11H14O2

(4S)-4-Methyl-4-phenyl-1,3-dioxane

  • Molecular FormulaC11H14O2
  • Average mass178.228 Da
  • Monoisotopic mass178.099380 Da
  • ChemSpider ID113057700

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Methyl-4-phenyl-1,3-dioxan [German] [ACD/IUPAC Name]
(4S)-4-Methyl-4-phenyl-1,3-dioxane [ACD/IUPAC Name]
(4S)-4-Méthyl-4-phényl-1,3-dioxane [French] [ACD/IUPAC Name]
1,3-Dioxane, 4-methyl-4-phenyl-, (4S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 258.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 113.8±18.7 °C
Index of Refraction: 1.504
Molar Refractivity: 50.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.15
ACD/KOC (pH 5.5): 379.42
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.15
ACD/KOC (pH 7.4): 379.42
Polar Surface Area: 18 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 171.1±3.0 cm3

Click to predict properties on the Chemicalize site


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