ChemSpider 2D Image | 4-Benzoylphenyl 4-methyl-3-(methylsulfonyl)benzoate | C22H18O5S

4-Benzoylphenyl 4-methyl-3-(methylsulfonyl)benzoate

  • Molecular FormulaC22H18O5S
  • Average mass394.440 Da
  • Monoisotopic mass394.087494 Da
  • ChemSpider ID30503178

More details:

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

4-Benzoylphenyl 4-methyl-3-(methylsulfonyl)benzoate [ACD/IUPAC Name]
4-Benzoylphenyl-4-methyl-3-(methylsulfonyl)benzoat [German] [ACD/IUPAC Name]
4-Méthyl-3-(méthylsulfonyl)benzoate de 4-benzoylphényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-3-(methylsulfonyl)-, 4-benzoylphenyl ester [ACD/Index Name]
4-BENZOYLPHENYL 3-METHANESULFONYL-4-METHYLBENZOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.8±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.98
ACD/KOC (pH 5.5): 1538.48
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.98
ACD/KOC (pH 7.4): 1538.48
Polar Surface Area: 86 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

Click to predict properties on the Chemicalize site


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