ChemSpider 2D Image | (6S)-2,2,6-Trimethyl-1,4-cyclohexanedione | C9H14O2

(6S)-2,2,6-Trimethyl-1,4-cyclohexanedione

  • Molecular FormulaC9H14O2
  • Average mass154.206 Da
  • Monoisotopic mass154.099380 Da
  • ChemSpider ID32793299

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-2,2,6-Trimethyl-1,4-cyclohexandion [German] [ACD/IUPAC Name]
(6S)-2,2,6-Trimethyl-1,4-cyclohexanedione [ACD/IUPAC Name]
(6S)-2,2,6-Triméthyl-1,4-cyclohexanedione [French] [ACD/IUPAC Name]
1,4-Cyclohexanedione, 2,2,6-trimethyl-, (6S)- [ACD/Index Name]
60686-83-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 236.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 86.2±22.4 °C
Index of Refraction: 1.444
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 51.42
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 51.42
Polar Surface Area: 34 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 28.7±3.0 dyne/cm
Molar Volume: 157.9±3.0 cm3

Click to predict properties on the Chemicalize site


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