ChemSpider 2D Image | 2-Chloro-2,5-cyclohexadien-1-one | C6H5ClO

2-Chloro-2,5-cyclohexadien-1-one

  • Molecular FormulaC6H5ClO
  • Average mass128.556 Da
  • Monoisotopic mass128.002899 Da
  • ChemSpider ID28714298

More details:

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

2,5-Cyclohexadien-1-one, 2-chloro- [ACD/Index Name]
2-Chlor-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
2-Chloro-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
2-Chloro-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2-Chlorocyclohexa-2,5-dien-1-one
98138-80-8 [RN]
MFCD24710150

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

Density: 1.2±0.1 g/cm3
Boiling Point: 230.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.7±3.0 kJ/mol
Flash Point: 87.9±18.5 °C
Index of Refraction: 1.532
Molar Refractivity: 32.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.35
ACD/KOC (pH 5.5): 130.71
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.35
ACD/KOC (pH 7.4): 130.71
Polar Surface Area: 17 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 36.5±5.0 dyne/cm
Molar Volume: 104.3±5.0 cm3

Click to predict properties on the Chemicalize site


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