ChemSpider 2D Image | (2R,6S)-2,4,6-Trimethyl-4-phenyl-1,3-dioxane | C13H18O2

(2R,6S)-2,4,6-Trimethyl-4-phenyl-1,3-dioxane

  • Molecular FormulaC13H18O2
  • Average mass206.281 Da
  • Monoisotopic mass206.130676 Da
  • ChemSpider ID75576913

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,6S)-2,4,6-Trimethyl-4-phenyl-1,3-dioxan [German] [ACD/IUPAC Name]
(2R,6S)-2,4,6-Trimethyl-4-phenyl-1,3-dioxane [ACD/IUPAC Name]
(2R,6S)-2,4,6-Triméthyl-4-phényl-1,3-dioxane [French] [ACD/IUPAC Name]
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-, (2R,6S)- [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: 278.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.7±3.0 kJ/mol
Flash Point: 128.3±18.7 °C
Index of Refraction: 1.481
Molar Refractivity: 60.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.36
ACD/KOC (pH 5.5): 1240.87
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.36
ACD/KOC (pH 7.4): 1240.87
Polar Surface Area: 18 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 211.1±3.0 cm3

Click to predict properties on the Chemicalize site


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