ChemSpider 2D Image | 3-(Cyclopentylsulfanyl)propanoic acid | C8H14O2S

3-(Cyclopentylsulfanyl)propanoic acid

  • Molecular FormulaC8H14O2S
  • Average mass174.261 Da
  • Monoisotopic mass174.071457 Da
  • ChemSpider ID24145837

More details:

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

3-(Cyclopentylsulfanyl)propanoic acid [ACD/IUPAC Name]
3-(Cyclopentylsulfanyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(cyclopentylsulfanyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(cyclopentylthio)- [ACD/Index Name]
933758-02-2 [RN]
MFCD09945007 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 321.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 61.9±6.0 kJ/mol
Flash Point: 148.3±23.2 °C
Index of Refraction: 1.528
Molar Refractivity: 46.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 30.13
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 151.7±5.0 cm3

Click to predict properties on the Chemicalize site


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