ChemSpider 2D Image | Dimethyl sulfinylmalonate | C5H6O5S

Dimethyl sulfinylmalonate

  • Molecular FormulaC5H6O5S
  • Average mass178.163 Da
  • Monoisotopic mass177.993591 Da
  • ChemSpider ID73950291

More details:

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

Dimethyl sulfinylmalonate [ACD/IUPAC Name]
Dimethyl-sulfinylmalonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-sulfinyl-, dimethyl ester [ACD/Index Name]
Sulfinylmalonate de diméthyle [French] [ACD/IUPAC 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: 222.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.9±3.0 kJ/mol
Flash Point: 88.3±22.6 °C
Index of Refraction: 1.499
Molar Refractivity: 38.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 70 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 130.6±7.0 cm3

Click to predict properties on the Chemicalize site


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