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Search term: C9H16O3S (Found by molecular formula)
ChemSpider 2D Image | 3-(Hexanoylsulfanyl)propanoic acid | C9H16O3S

3-(Hexanoylsulfanyl)propanoic acid

  • Molecular FormulaC9H16O3S
  • Average mass204.286 Da
  • Monoisotopic mass204.082016 Da
  • ChemSpider ID28714130

More details:

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

3-(Hexanoylsulfanyl)propanoic acid [ACD/IUPAC Name]
3-(Hexanoylsulfanyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(hexanoylsulfanyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(1-oxohexyl)thio]- [ACD/Index Name]
97916-45-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 326.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.5±6.0 kJ/mol
Flash Point: 151.4±23.2 °C
Index of Refraction: 1.495
Molar Refractivity: 53.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 22.07
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 182.8±3.0 cm3

Click to predict properties on the Chemicalize site


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