ChemSpider 2D Image | 2,2,6,6-Tetramethyl-1-[(1S)-2,2,2-trichloro-1-hydroxyethyl]-4-piperidinone | C11H18Cl3NO2

2,2,6,6-Tetramethyl-1-[(1S)-2,2,2-trichloro-1-hydroxyethyl]-4-piperidinone

  • Molecular FormulaC11H18Cl3NO2
  • Average mass302.625 Da
  • Monoisotopic mass301.040314 Da
  • ChemSpider ID129275068

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,2,6,6-Tetramethyl-1-[(1S)-2,2,2-trichlor-1-hydroxyethyl]-4-piperidinon [German] [ACD/IUPAC Name]
2,2,6,6-Tetramethyl-1-[(1S)-2,2,2-trichloro-1-hydroxyethyl]-4-piperidinone [ACD/IUPAC Name]
2,2,6,6-Tétraméthyl-1-[(1S)-2,2,2-trichloro-1-hydroxyéthyl]-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 2,2,6,6-tetramethyl-1-[(1S)-2,2,2-trichloro-1-hydroxyethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 350.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.9±6.0 kJ/mol
Flash Point: 165.6±27.9 °C
Index of Refraction: 1.505
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.92
ACD/KOC (pH 5.5): 862.42
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.63
ACD/KOC (pH 7.4): 869.28
Polar Surface Area: 41 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 238.2±3.0 cm3

Click to predict properties on the Chemicalize site


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