ChemSpider 2D Image | Ethyl 3-{[(2,2-diethoxyethyl)sulfinyl]methyl}benzoate | C16H24O5S

Ethyl 3-{[(2,2-diethoxyethyl)sulfinyl]methyl}benzoate

  • Molecular FormulaC16H24O5S
  • Average mass328.424 Da
  • Monoisotopic mass328.134430 Da
  • ChemSpider ID60153109

More details:

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

3-{[(2,2-Diéthoxyéthyl)sulfinyl]méthyl}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2,2-diethoxyethyl)sulfinyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 3-{[(2,2-diethoxyethyl)sulfinyl]methyl}benzoate [ACD/IUPAC Name]
Ethyl-3-{[(2,2-diethoxyethyl)sulfinyl]methyl}benzoat [German] [ACD/IUPAC 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: 492.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.6±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.14
ACD/KOC (pH 5.5): 506.51
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.14
ACD/KOC (pH 7.4): 506.51
Polar Surface Area: 81 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 281.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement