ChemSpider 2D Image | 3-Chloro-2,4,6-cycloheptatrien-1-one | C7H5ClO

3-Chloro-2,4,6-cycloheptatrien-1-one

  • Molecular FormulaC7H5ClO
  • Average mass140.567 Da
  • Monoisotopic mass140.002899 Da
  • ChemSpider ID60822200

More details:

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

2,4,6-Cycloheptatrien-1-one, 3-chloro- [ACD/Index Name]
23131-78-4 [RN]
3-Chlor-2,4,6-cycloheptatrien-1-on [German] [ACD/IUPAC Name]
3-Chloro-2,4,6-cycloheptatrien-1-one [ACD/IUPAC Name]
3-Chloro-2,4,6-cycloheptatrién-1-one [French] [ACD/IUPAC Name]
MFCD24690093

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

Density: 1.2±0.1 g/cm3
Boiling Point: 224.8±29.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 92.1±15.4 °C
Index of Refraction: 1.559
Molar Refractivity: 36.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 108.72
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.91
ACD/KOC (pH 7.4): 108.72
Polar Surface Area: 17 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 114.2±5.0 cm3

Click to predict properties on the Chemicalize site


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