ChemSpider 2D Image | 2-Methoxy-2-oxo-1-phenylethyl 2-[(2-furylmethyl)sulfanyl]benzoate | C21H18O5S

2-Methoxy-2-oxo-1-phenylethyl 2-[(2-furylmethyl)sulfanyl]benzoate

  • Molecular FormulaC21H18O5S
  • Average mass382.430 Da
  • Monoisotopic mass382.087494 Da
  • ChemSpider ID22326710

More details:

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

2-[(2-Furylméthyl)sulfanyl]benzoate de 2-méthoxy-2-oxo-1-phényléthyle [French] [ACD/IUPAC Name]
2-Methoxy-2-oxo-1-phenylethyl 2-[(2-furylmethyl)sulfanyl]benzoate [ACD/IUPAC Name]
2-Methoxy-2-oxo-1-phenylethyl-2-[(2-furylmethyl)sulfanyl]benzoat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[2-[(2-furanylmethyl)thio]benzoyl]oxy]-, methyl ester [ACD/Index 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: 538.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.4±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1892.32
ACD/KOC (pH 5.5): 7713.84
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1892.32
ACD/KOC (pH 7.4): 7713.84
Polar Surface Area: 91 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 294.1±5.0 cm3

Click to predict properties on the Chemicalize site


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