ChemSpider 2D Image | 5-[(1S)-4-Chloro-1-ethyl-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione | C17H19ClO4

5-[(1S)-4-Chloro-1-ethyl-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione

  • Molecular FormulaC17H19ClO4
  • Average mass322.783 Da
  • Monoisotopic mass322.097198 Da
  • ChemSpider ID30659085

  • 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-[(1S)-4-chloro-1-ethyl-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl- [ACD/Index Name]
5-[(1S)-4-Chlor-1-ethyl-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-1,3-dioxan-4,6-dion [German] [ACD/IUPAC Name]
5-[(1S)-4-Chloro-1-ethyl-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione [ACD/IUPAC Name]
5-[(1S)-4-Chloro-1-éthyl-2,3-dihydro-1H-indén-1-yl]-2,2-diméthyl-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: 510.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 202.6±29.1 °C
Index of Refraction: 1.542
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.40
ACD/KOC (pH 5.5): 922.59
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.39
ACD/KOC (pH 7.4): 922.58
Polar Surface Area: 53 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 260.1±3.0 cm3

Click to predict properties on the Chemicalize site


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