ChemSpider 2D Image | 5-[(2R)-2-(3-Chlorophenyl)-2-butanyl]-2,2-dimethyl-1,3-dioxane-4,6-dione | C16H19ClO4

5-[(2R)-2-(3-Chlorophenyl)-2-butanyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

  • Molecular FormulaC16H19ClO4
  • Average mass310.773 Da
  • Monoisotopic mass310.097198 Da
  • ChemSpider ID30659084

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Dioxane-4,6-dione, 5-[(1R)-1-(3-chlorophenyl)-1-methylpropyl]-2,2-dimethyl- [ACD/Index Name]
5-[(2R)-2-(3-Chlorophenyl)-2-butanyl]-2,2-dimethyl-1,3-dioxane-4,6-dione [ACD/IUPAC Name]
5-[(2R)-2-(3-Chlorophényl)-2-butanyl]-2,2-diméthyl-1,3-dioxane-4,6-dione [French] [ACD/IUPAC Name]
5-[(2R)-2-(3-Chlorphenyl)-2-butanyl]-2,2-dimethyl-1,3-dioxan-4,6-dion [German] [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: 471.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 184.4±24.9 °C
Index of Refraction: 1.517
Molar Refractivity: 78.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.88
ACD/KOC (pH 5.5): 674.49
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.88
ACD/KOC (pH 7.4): 674.48
Polar Surface Area: 53 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 260.6±3.0 cm3

Click to predict properties on the Chemicalize site


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