ChemSpider 2D Image | 3-(Cyclopentylsulfonyl)propanoic acid | C8H14O4S

3-(Cyclopentylsulfonyl)propanoic acid

  • Molecular FormulaC8H14O4S
  • Average mass206.259 Da
  • Monoisotopic mass206.061279 Da
  • ChemSpider ID22764051

More details:

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

3-(cyclopentanesulfonyl)propanoic acid
3-(Cyclopentylsulfonyl)propanoic acid [ACD/IUPAC Name]
3-(Cyclopentylsulfonyl)propansäure [German] [ACD/IUPAC Name]
933710-57-7 [RN]
Acide 3-(cyclopentylsulfonyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(cyclopentylsulfonyl)- [ACD/Index Name]
MFCD09951481 [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: 451.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 227.0±22.9 °C
Index of Refraction: 1.515
Molar Refractivity: 47.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 157.6±5.0 cm3

Click to predict properties on the Chemicalize site


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