ChemSpider 2D Image | 9-[(E)-2-(4-Chlorophenyl)vinyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione | C21H19ClO3

9-[(E)-2-(4-Chlorophenyl)vinyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

  • Molecular FormulaC21H19ClO3
  • Average mass354.827 Da
  • Monoisotopic mass354.102264 Da
  • ChemSpider ID30657426

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Xanthene-1,8(2H)-dione, 9-[(E)-2-(4-chlorophenyl)ethenyl]-3,4,5,6,7,9-hexahydro- [ACD/Index Name]
9-[(E)-2-(4-Chlorophenyl)vinyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione [ACD/IUPAC Name]
9-[(E)-2-(4-Chlorophényl)vinyl]-3,4,5,6,7,9-hexahydro-1H-xanthène-1,8(2H)-dione [French] [ACD/IUPAC Name]
9-[(E)-2-(4-Chlorphenyl)vinyl]-3,4,5,6,7,9-hexahydro-1H-xanthen-1,8(2H)-dion [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 211.2±29.1 °C
Index of Refraction: 1.627
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 602.52
ACD/KOC (pH 5.5): 3400.22
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 602.52
ACD/KOC (pH 7.4): 3400.22
Polar Surface Area: 43 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 270.1±5.0 cm3

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