ChemSpider 2D Image | 3-(Propylsulfonyl)propanoic acid | C6H12O4S

3-(Propylsulfonyl)propanoic acid

  • Molecular FormulaC6H12O4S
  • Average mass180.222 Da
  • Monoisotopic mass180.045624 Da
  • ChemSpider ID24201379

More details:






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

3-(Propylsulfonyl)propanoic acid [ACD/IUPAC Name]
3-(Propylsulfonyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(propylsulfonyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(propylsulfonyl)- [ACD/Index Name]
3-(PROPANE-1-SULFONYL)PROPANOIC ACID
3-(Propane-1-sulfonyl)-propionic acid
X1R

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 403.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.8±6.0 kJ/mol
Flash Point: 197.7±24.0 °C
Index of Refraction: 1.475
Molar Refractivity: 40.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
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: 47.4±3.0 dyne/cm
Molar Volume: 143.2±3.0 cm3

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