ChemSpider 2D Image | 3,5-Difluoro-4-[3-(methylsulfonyl)propoxy]benzoic acid | C11H12F2O5S

3,5-Difluoro-4-[3-(methylsulfonyl)propoxy]benzoic acid

  • Molecular FormulaC11H12F2O5S
  • Average mass294.272 Da
  • Monoisotopic mass294.037354 Da
  • ChemSpider ID35686734

More details:

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

3,5-Difluor-4-[3-(methylsulfonyl)propoxy]benzoesäure [German] [ACD/IUPAC Name]
3,5-Difluoro-4-[3-(methylsulfonyl)propoxy]benzoic acid [ACD/IUPAC Name]
Acide 3,5-difluoro-4-[3-(méthylsulfonyl)propoxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-difluoro-4-[3-(methylsulfonyl)propoxy]- [ACD/Index 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: 521.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.3±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 204.9±3.0 cm3

Click to predict properties on the Chemicalize site


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