ChemSpider 2D Image | 1-Isothiocyanato-6-(methylsulfonyl)hexane | C8H15NO2S2

1-Isothiocyanato-6-(methylsulfonyl)hexane

  • Molecular FormulaC8H15NO2S2
  • Average mass221.340 Da
  • Monoisotopic mass221.054413 Da
  • ChemSpider ID24608100

More details:

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

1-Isothiocyanato-6-(methylsulfonyl)hexan [German] [ACD/IUPAC Name]
1-Isothiocyanato-6-(methylsulfonyl)hexane [ACD/IUPAC Name]
1-Isothiocyanato-6-(methylsulfonyl)-hexane
1-Isothiocyanato-6-(méthylsulfonyl)hexane [French] [ACD/IUPAC Name]
Hexane, 1-isothiocyanato-6-(methylsulfonyl)- [ACD/Index Name]
167963-03-3 [RN]
6-Methylsulfonylhexyl isothiocyanate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 402.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 196.9±24.0 °C
Index of Refraction: 1.523
Molar Refractivity: 59.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.94
ACD/KOC (pH 5.5): 285.78
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.94
ACD/KOC (pH 7.4): 285.78
Polar Surface Area: 87 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 194.2±7.0 cm3

Click to predict properties on the Chemicalize site


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