ChemSpider 2D Image | 2,5-Dimethyl-1-naphthyl trifluoromethanesulfonate | C13H11F3O3S

2,5-Dimethyl-1-naphthyl trifluoromethanesulfonate

  • Molecular FormulaC13H11F3O3S
  • Average mass304.285 Da
  • Monoisotopic mass304.038086 Da
  • ChemSpider ID74826166

More details:

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

2,5-Dimethyl-1-naphthyl trifluoromethanesulfonate [ACD/IUPAC Name]
2,5-Dimethyl-1-naphthyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, 2,5-dimethyl-1-naphthalenyl ester [ACD/Index Name]
Trifluorométhanesulfonate de 2,5-diméthyl-1-naphtyle [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: 376.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 181.6±27.9 °C
Index of Refraction: 1.548
Molar Refractivity: 69.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3684.31
ACD/KOC (pH 5.5): 12427.73
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3684.31
ACD/KOC (pH 7.4): 12427.73
Polar Surface Area: 52 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 217.5±3.0 cm3

Click to predict properties on the Chemicalize site


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