ChemSpider 2D Image | 2,2-Dimethyl-5-{2-[2-(methylsulfanyl)phenyl]-2-propanyl}-1,3-dioxane-4,6-dione | C16H20O4S

2,2-Dimethyl-5-{2-[2-(methylsulfanyl)phenyl]-2-propanyl}-1,3-dioxane-4,6-dione

  • Molecular FormulaC16H20O4S
  • Average mass308.393 Da
  • Monoisotopic mass308.108215 Da
  • ChemSpider ID30658884

More details:

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

1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-methyl-1-[2-(methylthio)phenyl]ethyl]- [ACD/Index Name]
2,2-Dimethyl-5-{2-[2-(methylsulfanyl)phenyl]-2-propanyl}-1,3-dioxan-4,6-dion [German] [ACD/IUPAC Name]
2,2-Dimethyl-5-{2-[2-(methylsulfanyl)phenyl]-2-propanyl}-1,3-dioxane-4,6-dione [ACD/IUPAC Name]
2,2-Diméthyl-5-{2-[2-(méthylsulfanyl)phényl]-2-propanyl}-1,3-dioxane-4,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 251.3±15.4 °C
Index of Refraction: 1.558
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.45
ACD/KOC (pH 5.5): 343.04
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.45
ACD/KOC (pH 7.4): 343.04
Polar Surface Area: 78 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 256.6±5.0 cm3

Click to predict properties on the Chemicalize site


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