ChemSpider 2D Image | Hexyl 8-sulfanyloctanoate | C14H28O2S

Hexyl 8-sulfanyloctanoate

  • Molecular FormulaC14H28O2S
  • Average mass260.436 Da
  • Monoisotopic mass260.181000 Da
  • ChemSpider ID28592895

More details:

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

8-Sulfanyloctanoate d'hexyle [French] [ACD/IUPAC Name]
Hexyl 8-sulfanyloctanoate [ACD/IUPAC Name]
Hexyl-8-sulfanyloctanoat [German] [ACD/IUPAC Name]
Octanoic acid, 8-mercapto-, hexyl ester [ACD/Index Name]
923262-84-4 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 334.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 187.9±11.1 °C
Index of Refraction: 1.465
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7606.32
ACD/KOC (pH 5.5): 20880.20
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7600.15
ACD/KOC (pH 7.4): 20863.24
Polar Surface Area: 65 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 277.2±3.0 cm3

Click to predict properties on the Chemicalize site


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