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

3,4-Difluoro-5-[(4-hydroxybutyl)sulfonyl]benzoic acid

  • Molecular FormulaC11H12F2O5S
  • Average mass294.272 Da
  • Monoisotopic mass294.037354 Da
  • ChemSpider ID47977381

More details:

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

3,4-Difluor-5-[(4-hydroxybutyl)sulfonyl]benzoesäure [German] [ACD/IUPAC Name]
3,4-Difluoro-5-[(4-hydroxybutyl)sulfonyl]benzoic acid [ACD/IUPAC Name]
Acide 3,4-difluoro-5-[(4-hydroxybutyl)sulfonyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-difluoro-5-[(4-hydroxybutyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 539.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.8±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 199.2±3.0 cm3

Click to predict properties on the Chemicalize site


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