ChemSpider 2D Image | RCL T182516 | C16H26O3S

RCL T182516

  • Molecular FormulaC16H26O3S
  • Average mass298.441 Da
  • Monoisotopic mass298.160278 Da
  • ChemSpider ID21763235

More details:

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

11-[(2-Methyl-2-propanyl)oxy]-12-thiatricyclo[4.4.3.01,6]tridec-3-en-12,12-dioxid [German] [ACD/IUPAC Name]
11-[(2-Methyl-2-propanyl)oxy]-12-thiatricyclo[4.4.3.01,6]tridec-3-ene 12,12-dioxide [ACD/IUPAC Name]
12,12-Dioxyde de 11-[(2-méthyl-2-propanyl)oxy]-12-thiatricyclo[4.4.3.01,6]tridéc-3-ène [French] [ACD/IUPAC Name]
4a,8a-(Methanothiomethano)naphthalene, 9-(1,1-dimethylethoxy)-1,2,3,4,5,8-hexahydro-, 10,10-dioxide [ACD/Index Name]
MFCD09866728
RCL T182516

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 229.0±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 80.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.00
ACD/KOC (pH 5.5): 1499.65
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.00
ACD/KOC (pH 7.4): 1499.65
Polar Surface Area: 52 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 256.8±5.0 cm3

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