ChemSpider 2D Image | 8-(Acetylthio)octanoic acid | C10H18O3S

8-(Acetylthio)octanoic acid

  • Molecular FormulaC10H18O3S
  • Average mass218.313 Da
  • Monoisotopic mass218.097672 Da
  • ChemSpider ID28573249

More details:

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

503564-61-2 [RN]
8-(Acetylsulfanyl)octanoic acid [ACD/IUPAC Name]
8-(Acetylsulfanyl)octansäure [German] [ACD/IUPAC Name]
8-(Acetylthio)octanoic acid
Acide 8-(acétylsulfanyl)octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 8-(acetylthio)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 347.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.0±6.0 kJ/mol
Flash Point: 163.7±23.2 °C
Index of Refraction: 1.493
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 7.40
ACD/KOC (pH 5.5): 86.30
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 80 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 199.3±3.0 cm3

Click to predict properties on the Chemicalize site


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