Found 12 results

Search term: MF = 'C_{11}H_{13}F_{3}O_{5}S'
ChemSpider 2D Image | 2,2,2-Trifluoroethyl 4,5-dimethoxy-2-methylbenzenesulfonate | C11H13F3O5S

2,2,2-Trifluoroethyl 4,5-dimethoxy-2-methylbenzenesulfonate

  • Molecular FormulaC11H13F3O5S
  • Average mass314.278 Da
  • Monoisotopic mass314.043579 Da
  • ChemSpider ID31472385

More details:

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

2,2,2-Trifluorethyl-4,5-dimethoxy-2-methylbenzolsulfonat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl 4,5-dimethoxy-2-methylbenzenesulfonate [ACD/IUPAC Name]
4,5-Diméthoxy-2-méthylbenzènesulfonate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4,5-dimethoxy-2-methyl-, 2,2,2-trifluoroethyl ester [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: 383.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 185.9±27.9 °C
Index of Refraction: 1.460
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.30
ACD/KOC (pH 5.5): 631.07
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.30
ACD/KOC (pH 7.4): 631.07
Polar Surface Area: 70 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 234.8±3.0 cm3

Click to predict properties on the Chemicalize site


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