Found 40 results

Search term: MF = 'C_{12}H_{18}O_{5}S_{2}'
ChemSpider 2D Image | 3-[2,4-Bis(methylsulfonyl)phenyl]-2-butanol | C12H18O5S2

3-[2,4-Bis(methylsulfonyl)phenyl]-2-butanol

  • Molecular FormulaC12H18O5S2
  • Average mass306.398 Da
  • Monoisotopic mass306.059570 Da
  • ChemSpider ID40299310

More details:

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

3-[2,4-Bis(methylsulfonyl)phenyl]-2-butanol [German] [ACD/IUPAC Name]
3-[2,4-Bis(methylsulfonyl)phenyl]-2-butanol [ACD/IUPAC Name]
3-[2,4-Bis(méthylsulfonyl)phényl]-2-butanol [French] [ACD/IUPAC Name]
Benzeneethanol, α,β-dimethyl-2,4-bis(methylsulfonyl)- [ACD/Index 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: 554.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.9±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 73.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.28
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.28
Polar Surface Area: 105 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 237.4±3.0 cm3

Click to predict properties on the Chemicalize site


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