ChemSpider 2D Image | 8-(Butylsulfanyl)-1,6-octadiene | C12H22S

8-(Butylsulfanyl)-1,6-octadiene

  • Molecular FormulaC12H22S
  • Average mass198.368 Da
  • Monoisotopic mass198.144226 Da
  • ChemSpider ID28681448

More details:

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

1,6-Octadiene, 8-(butylthio)- [ACD/Index Name]
8-(Butylsulfanyl)-1,6-octadien [German] [ACD/IUPAC Name]
8-(Butylsulfanyl)-1,6-octadiene [ACD/IUPAC Name]
8-(Butylsulfanyl)-1,6-octadiène [French] [ACD/IUPAC Name]
133124-43-3 [RN]
8-(BUTYLSULFANYL)OCTA-1,6-DIENE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 279.0±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.7±3.0 kJ/mol
Flash Point: 111.3±18.2 °C
Index of Refraction: 1.482
Molar Refractivity: 65.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7662.52
ACD/KOC (pH 5.5): 20990.55
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7662.52
ACD/KOC (pH 7.4): 20990.55
Polar Surface Area: 25 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 30.0±3.0 dyne/cm
Molar Volume: 229.3±3.0 cm3

Click to predict properties on the Chemicalize site


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