ChemSpider 2D Image | 7,7-Dimethyl-1-(phenylsulfanyl)-4,5,6,7-tetrahydro-2-benzofuran | C16H18OS

7,7-Dimethyl-1-(phenylsulfanyl)-4,5,6,7-tetrahydro-2-benzofuran

  • Molecular FormulaC16H18OS
  • Average mass258.379 Da
  • Monoisotopic mass258.107849 Da
  • ChemSpider ID21410679

More details:

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

7,7-Dimethyl-1-(phenylsulfanyl)-4,5,6,7-tetrahydro-2-benzofuran [ACD/IUPAC Name]
7,7-Dimethyl-1-(phenylsulfanyl)-4,5,6,7-tetrahydro-2-benzofuran [German] [ACD/IUPAC Name]
7,7-Diméthyl-1-(phénylsulfanyl)-4,5,6,7-tétrahydro-2-benzofurane [French] [ACD/IUPAC Name]
Isobenzofuran, 4,5,6,7-tetrahydro-7,7-dimethyl-1-(phenylthio)- [ACD/Index Name]
7,7-Dimethyl-1-(phenylthio)-4,5,6,7-tetrahydroisobenzofuran
89656-06-4 [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: 344.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 162.3±27.9 °C
Index of Refraction: 1.605
Molar Refractivity: 77.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13705.42
ACD/KOC (pH 5.5): 31825.53
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13705.42
ACD/KOC (pH 7.4): 31825.53
Polar Surface Area: 38 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 225.7±5.0 cm3

Click to predict properties on the Chemicalize site


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