ChemSpider 2D Image | 1-[4-(Methylsulfonyl)phenyl]-1-hexadecanone | C23H38O3S

1-[4-(Methylsulfonyl)phenyl]-1-hexadecanone

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID57601598

More details:

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

1-[4-(Methylsulfonyl)phenyl]-1-hexadecanon [German] [ACD/IUPAC Name]
1-[4-(Methylsulfonyl)phenyl]-1-hexadecanone [ACD/IUPAC Name]
1-[4-(Méthylsulfonyl)phényl]-1-hexadécanone [French] [ACD/IUPAC Name]
1-Hexadecanone, 1-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
1-(4-methanesulfonylphenyl)hexadecan-1-one
812650-08-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 536.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 308.7±20.6 °C
Index of Refraction: 1.493
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 8.02
ACD/BCF (pH 5.5): 730265.94
ACD/KOC (pH 5.5): 547835.06
ACD/LogD (pH 7.4): 8.02
ACD/BCF (pH 7.4): 730265.94
ACD/KOC (pH 7.4): 547835.06
Polar Surface Area: 60 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

Click to predict properties on the Chemicalize site


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