ChemSpider 2D Image | 3-[(2,2-Diethoxyethyl)sulfinyl]propanoic acid | C9H18O5S

3-[(2,2-Diethoxyethyl)sulfinyl]propanoic acid

  • Molecular FormulaC9H18O5S
  • Average mass238.301 Da
  • Monoisotopic mass238.087494 Da
  • ChemSpider ID60164158

More details:

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

3-[(2,2-Diethoxyethyl)sulfinyl]propanoic acid [ACD/IUPAC Name]
3-[(2,2-Diethoxyethyl)sulfinyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(2,2-diéthoxyéthyl)sulfinyl]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(2,2-diethoxyethyl)sulfinyl]- [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: 432.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 215.4±28.7 °C
Index of Refraction: 1.505
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 194.3±3.0 cm3

Click to predict properties on the Chemicalize site


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