ChemSpider 2D Image | (4R)-2,2,4-Trimethyl-3-hexanone | C9H18O

(4R)-2,2,4-Trimethyl-3-hexanone

  • Molecular FormulaC9H18O
  • Average mass142.239 Da
  • Monoisotopic mass142.135757 Da
  • ChemSpider ID60684251

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2,2,4-Trimethyl-3-hexanon [German] [ACD/IUPAC Name]
(4R)-2,2,4-Trimethyl-3-hexanone [ACD/IUPAC Name]
(4R)-2,2,4-Triméthyl-3-hexanone [French] [ACD/IUPAC Name]
3-Hexanone, 2,2,4-trimethyl-, (4R)- [ACD/Index Name]
109529-41-1 [RN]
MFCD24706705

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

Density: 0.8±0.1 g/cm3
Boiling Point: 161.2±8.0 °C at 760 mmHg
Vapour Pressure: 2.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.8±3.0 kJ/mol
Flash Point: 36.9±12.1 °C
Index of Refraction: 1.415
Molar Refractivity: 43.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.15
ACD/KOC (pH 5.5): 590.00
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.15
ACD/KOC (pH 7.4): 590.00
Polar Surface Area: 17 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 24.3±3.0 dyne/cm
Molar Volume: 174.6±3.0 cm3

Click to predict properties on the Chemicalize site


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