ChemSpider 2D Image | (7-Ethyl-2-oxo-2H-chromen-4-yl)methyl tetrahydro-3-thiophenecarboxylate 1,1-dioxide | C17H18O6S

(7-Ethyl-2-oxo-2H-chromen-4-yl)methyl tetrahydro-3-thiophenecarboxylate 1,1-dioxide

  • Molecular FormulaC17H18O6S
  • Average mass350.386 Da
  • Monoisotopic mass350.082397 Da
  • ChemSpider ID22563841

More details:

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

(7-Ethyl-2-oxo-2H-chromen-4-yl)methyl tetrahydro-3-thiophenecarboxylate 1,1-dioxide [ACD/IUPAC Name]
(7-Ethyl-2-oxo-2H-chromen-4-yl)methyl-tetrahydro-3-thiophencarboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
1,1-Dioxyde de tétrahydro-3-thiophènecarboxylate de (7-éthyl-2-oxo-2H-chromén-4-yl)méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, tetrahydro-, (7-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl ester, 1,1-dioxide [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: 594.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.79
ACD/KOC (pH 5.5): 305.43
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.79
ACD/KOC (pH 7.4): 305.43
Polar Surface Area: 95 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 256.8±3.0 cm3

Click to predict properties on the Chemicalize site


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