ChemSpider 2D Image | (3S)-3,5-Dimethylcyclohexanone | C8H14O

(3S)-3,5-Dimethylcyclohexanone

  • Molecular FormulaC8H14O
  • Average mass126.196 Da
  • Monoisotopic mass126.104462 Da
  • ChemSpider ID61595667

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3,5-Dimethylcyclohexanon [German] [ACD/IUPAC Name]
(3S)-3,5-Dimethylcyclohexanone [ACD/IUPAC Name]
(3S)-3,5-Diméthylcyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 3,5-dimethyl-, (3S)- [ACD/Index Name]
1933696-04-8 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 182.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 53.8±10.7 °C
Index of Refraction: 1.434
Molar Refractivity: 37.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.85
ACD/KOC (pH 5.5): 204.22
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.85
ACD/KOC (pH 7.4): 204.22
Polar Surface Area: 17 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 25.7±3.0 dyne/cm
Molar Volume: 142.9±3.0 cm3

Click to predict properties on the Chemicalize site


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