ChemSpider 2D Image | 4-Ethyl-2-(methylsulfonyl)phenol | C9H12O3S

4-Ethyl-2-(methylsulfonyl)phenol

  • Molecular FormulaC9H12O3S
  • Average mass200.255 Da
  • Monoisotopic mass200.050720 Da
  • ChemSpider ID35791942

More details:

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

4-Ethyl-2-(methylsulfonyl)phenol [German] [ACD/IUPAC Name]
4-Ethyl-2-(methylsulfonyl)phenol [ACD/IUPAC Name]
4-Éthyl-2-(méthylsulfonyl)phénol [French] [ACD/IUPAC Name]
Phenol, 4-ethyl-2-(methylsulfonyl)- [ACD/Index Name]
4-Ethyl-2-(methanesulfonyl)phenol
88041-59-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 188.2±27.9 °C
Index of Refraction: 1.540
Molar Refractivity: 51.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.72
ACD/KOC (pH 5.5): 236.59
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 4.62
ACD/KOC (pH 7.4): 74.24
Polar Surface Area: 63 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 162.5±3.0 cm3

Click to predict properties on the Chemicalize site


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