ChemSpider 2D Image | 1-Bromo-2-propanyl trifluoromethanesulfonate | C4H6BrF3O3S

1-Bromo-2-propanyl trifluoromethanesulfonate

  • Molecular FormulaC4H6BrF3O3S
  • Average mass271.053 Da
  • Monoisotopic mass269.917297 Da
  • ChemSpider ID62881843

More details:

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

142618-95-9 [RN]
1-Brom-2-propanyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
1-Bromo-2-propanyl trifluoromethanesulfonate [ACD/IUPAC Name]
2-Bromo-1-methylethyl 1,1,1-trifluoromethanesulfonate
Methanesulfonic acid, 1,1,1-trifluoro-, 2-bromo-1-methylethyl ester [ACD/Index Name]
Trifluorométhanesulfonate de 1-bromo-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 202.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.0±3.0 kJ/mol
Flash Point: 76.1±27.3 °C
Index of Refraction: 1.429
Molar Refractivity: 39.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.87
ACD/KOC (pH 5.5): 651.23
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.87
ACD/KOC (pH 7.4): 651.23
Polar Surface Area: 52 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 151.9±3.0 cm3

Click to predict properties on the Chemicalize site


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