ChemSpider 2D Image | 2-{[3-(4-Fluoro-1,3-benzodioxol-5-yl)-2-propyn-1-yl]sulfanyl}ethanol | C12H11FO3S

2-{[3-(4-Fluoro-1,3-benzodioxol-5-yl)-2-propyn-1-yl]sulfanyl}ethanol

  • Molecular FormulaC12H11FO3S
  • Average mass254.277 Da
  • Monoisotopic mass254.041290 Da
  • ChemSpider ID81601352

More details:

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

2-{[3-(4-Fluor-1,3-benzodioxol-5-yl)-2-propin-1-yl]sulfanyl}ethanol [German] [ACD/IUPAC Name]
2-{[3-(4-Fluoro-1,3-benzodioxol-5-yl)-2-propyn-1-yl]sulfanyl}ethanol [ACD/IUPAC Name]
2-{[3-(4-Fluoro-1,3-benzodioxol-5-yl)-2-propyn-1-yl]sulfanyl}éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[3-(4-fluoro-1,3-benzodioxol-5-yl)-2-propyn-1-yl]thio]- [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: 401.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 196.7±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 63.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.22
ACD/KOC (pH 5.5): 549.52
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.22
ACD/KOC (pH 7.4): 549.52
Polar Surface Area: 64 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 181.0±5.0 cm3

Click to predict properties on the Chemicalize site


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