ChemSpider 2D Image | 2-Fluoro-7-(pentyloxy)-9H-thioxanthen-9-one | C18H17FO2S

2-Fluoro-7-(pentyloxy)-9H-thioxanthen-9-one

  • Molecular FormulaC18H17FO2S
  • Average mass316.390 Da
  • Monoisotopic mass316.093323 Da
  • ChemSpider ID78213450

More details:

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

2-Fluor-7-(pentyloxy)-9H-thioxanthen-9-on [German] [ACD/IUPAC Name]
2-Fluoro-7-(pentyloxy)-9H-thioxanthen-9-one [ACD/IUPAC Name]
2-Fluoro-7-(pentyloxy)-9H-thioxanthén-9-one [French] [ACD/IUPAC Name]
9H-Thioxanthen-9-one, 2-fluoro-7-(pentyloxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 468.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.1±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18597.82
ACD/KOC (pH 5.5): 39597.49
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18597.82
ACD/KOC (pH 7.4): 39597.49
Polar Surface Area: 52 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 256.3±3.0 cm3

Click to predict properties on the Chemicalize site


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