ChemSpider 2D Image | 1-(3,5-Dichloro-2,4,6-trihydroxyphenyl)-1-octanone | C14H18Cl2O4

1-(3,5-Dichloro-2,4,6-trihydroxyphenyl)-1-octanone

  • Molecular FormulaC14H18Cl2O4
  • Average mass321.196 Da
  • Monoisotopic mass320.058228 Da
  • ChemSpider ID58978631

More details:

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

1-(3,5-Dichlor-2,4,6-trihydroxyphenyl)-1-octanon [German] [ACD/IUPAC Name]
1-(3,5-Dichloro-2,4,6-trihydroxyphenyl)-1-octanone [ACD/IUPAC Name]
1-(3,5-Dichloro-2,4,6-trihydroxyphényl)-1-octanone [French] [ACD/IUPAC Name]
1-Octanone, 1-(3,5-dichloro-2,4,6-trihydroxyphenyl)- [ACD/Index 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: 440.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 220.2±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 29253.15
ACD/KOC (pH 5.5): 30450.60
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 47.21
ACD/KOC (pH 7.4): 49.14
Polar Surface Area: 78 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 239.2±3.0 cm3

Click to predict properties on the Chemicalize site


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