ChemSpider 2D Image | 5-(4-Chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione | C19H17ClO4S

5-(4-Chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione

  • Molecular FormulaC19H17ClO4S
  • Average mass376.854 Da
  • Monoisotopic mass376.053619 Da
  • ChemSpider ID21206240

More details:






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

1,3-Cyclohexanedione, 5-(4-chlorophenyl)-2-[(phenylsulfonyl)methyl]- [ACD/Index Name]
5-(4-Chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione [ACD/IUPAC Name]
5-(4-Chlorophényl)-2-[(phénylsulfonyl)méthyl]-1,3-cyclohexanedione [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexandion [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: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 33.43
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 77 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 282.8±3.0 cm3

Click to predict properties on the Chemicalize site






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