ChemSpider 2D Image | 3-(Isobutylsulfonyl)propanoic acid | C7H14O4S

3-(Isobutylsulfonyl)propanoic acid

  • Molecular FormulaC7H14O4S
  • Average mass194.249 Da
  • Monoisotopic mass194.061279 Da
  • ChemSpider ID22764038

More details:

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

3-(2-methylpropanesulfonyl)propanoic acid
3-(Isobutylsulfonyl)propanoic acid [ACD/IUPAC Name]
3-(Isobutylsulfonyl)propansäure [German] [ACD/IUPAC Name]
73547-13-4 [RN]
Acide 3-(isobutylsulfonyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(2-methylpropyl)sulfonyl]- [ACD/Index Name]
3-[(2-methylpropane)sulfonyl]propanoic acid
MFCD09950098 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 194.6±23.2 °C
Index of Refraction: 1.473
Molar Refractivity: 44.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 160.1±3.0 cm3

Click to predict properties on the Chemicalize site


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