ChemSpider 2D Image | 4-(3-Methylbutoxy)-4-oxo-2,3-disulfanylbutanoate | C9H15O4S2

4-(3-Methylbutoxy)-4-oxo-2,3-disulfanylbutanoate

  • Molecular FormulaC9H15O4S2
  • Average mass251.344 Da
  • Monoisotopic mass251.041718 Da
  • ChemSpider ID57532249

  • Charge - Charge

More details:

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

4-(3-Methylbutoxy)-4-oxo-2,3-disulfanylbutanoat [German] [ACD/IUPAC Name]
4-(3-Methylbutoxy)-4-oxo-2,3-disulfanylbutanoate [ACD/IUPAC Name]
4-(3-Méthylbutoxy)-4-oxo-2,3-disulfanylbutanoate [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-dimercapto-, mono(3-methylbutyl) ester, ion(1-) [ACD/Index Name]
141056-24-8 [RN]
4-(3-Methylbutoxy)-4-oxo-2,3-bis(sulfanyl)butanoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 385.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 187.1±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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