ChemSpider 2D Image | 1-Oxa-5-thiaspiro[5.5]undecan-9-one | C9H14O2S

1-Oxa-5-thiaspiro[5.5]undecan-9-one

  • Molecular FormulaC9H14O2S
  • Average mass186.271 Da
  • Monoisotopic mass186.071457 Da
  • ChemSpider ID22499157

More details:

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

1-Oxa-5-thiaspiro[5.5]undecan-9-on [German] [ACD/IUPAC Name]
1-Oxa-5-thiaspiro[5.5]undecan-9-one [ACD/Index Name] [ACD/IUPAC Name]
1-Oxa-5-thia-spiro[5.5]undecan-9-one
1-Oxa-5-thiaspiro[5.5]undécan-9-one [French] [ACD/IUPAC Name]
947534-48-7 [RN]
1-OXA-5-THIA-SPIRO[5.5]-UNDECAN-9-ONE
MFCD11036058

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

Density: 1.2±0.1 g/cm3
Boiling Point: 338.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 168.7±15.9 °C
Index of Refraction: 1.540
Molar Refractivity: 49.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.51
ACD/KOC (pH 5.5): 200.07
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.51
ACD/KOC (pH 7.4): 200.07
Polar Surface Area: 52 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 157.9±5.0 cm3

Click to predict properties on the Chemicalize site


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