Found 12 results

Search term: MF = 'C_{11}H_{13}F_{3}O_{5}S'
ChemSpider 2D Image | 1-(3,4-Dimethoxyphenyl)ethyl trifluoromethanesulfonate | C11H13F3O5S

1-(3,4-Dimethoxyphenyl)ethyl trifluoromethanesulfonate

  • Molecular FormulaC11H13F3O5S
  • Average mass314.278 Da
  • Monoisotopic mass314.043579 Da
  • ChemSpider ID51450415

More details:

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

1-(3,4-Dimethoxyphenyl)ethyl trifluoromethanesulfonate [ACD/IUPAC Name]
1-(3,4-Dimethoxyphenyl)ethyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, 1-(3,4-dimethoxyphenyl)ethyl ester [ACD/Index Name]
Trifluorométhanesulfonate de 1-(3,4-diméthoxyphényl)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 335.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 156.7±27.9 °C
Index of Refraction: 1.468
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: 3.02
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.00
ACD/KOC (pH 5.5): 1274.73
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.00
ACD/KOC (pH 7.4): 1274.73
Polar Surface Area: 70 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 231.3±3.0 cm3

Click to predict properties on the Chemicalize site


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