ChemSpider 2D Image | 1,1-Dioxidotetrahydro-2H-thiopyran-3-yl 5-ethyl-4-methyl-2-furoate | C13H18O5S

1,1-Dioxidotetrahydro-2H-thiopyran-3-yl 5-ethyl-4-methyl-2-furoate

  • Molecular FormulaC13H18O5S
  • Average mass286.344 Da
  • Monoisotopic mass286.087494 Da
  • ChemSpider ID35154450

More details:

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

1,1-Dioxidotetrahydro-2H-thiopyran-3-yl 5-ethyl-4-methyl-2-furoate [ACD/IUPAC Name]
1,1-Dioxidotetrahydro-2H-thiopyran-3-yl-5-ethyl-4-methyl-2-furoat [German] [ACD/IUPAC Name]
2-Furancarboxylic acid, 5-ethyl-4-methyl-, tetrahydro-1,1-dioxido-2H-thiopyran-3-yl ester [ACD/Index Name]
5-Éthyl-4-méthyl-2-furoate de 1,1-dioxydotétrahydro-2H-thiopyrane-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.8±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.25
ACD/KOC (pH 5.5): 244.70
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.25
ACD/KOC (pH 7.4): 244.70
Polar Surface Area: 82 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 223.9±5.0 cm3

Click to predict properties on the Chemicalize site


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