ChemSpider 2D Image | 2-(Propylsulfonyl)propanoic acid | C6H12O4S

2-(Propylsulfonyl)propanoic acid

  • Molecular FormulaC6H12O4S
  • Average mass180.222 Da
  • Monoisotopic mass180.045624 Da
  • ChemSpider ID24091934

More details:

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

2-(Propylsulfonyl)propanoic acid [ACD/IUPAC Name]
2-(Propylsulfonyl)propansäure [German] [ACD/IUPAC Name]
Acide 2-(propylsulfonyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-(propylsulfonyl)- [ACD/Index Name]
2-(propane-1-sulfonyl)propanoic acid
854678-70-9 [RN]
MFCD09940594 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 386.2±25.0 °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: 187.4±23.2 °C
Index of Refraction: 1.473
Molar Refractivity: 40.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 143.6±3.0 cm3

Click to predict properties on the Chemicalize site


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