ChemSpider 2D Image | (3S,4S)-3,4-Dimethyl-2,5-hexanedione | C8H14O2

(3S,4S)-3,4-Dimethyl-2,5-hexanedione

  • Molecular FormulaC8H14O2
  • Average mass142.196 Da
  • Monoisotopic mass142.099380 Da
  • ChemSpider ID61698304

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-3,4-Dimethyl-2,5-hexandion [German] [ACD/IUPAC Name]
(3S,4S)-3,4-Dimethyl-2,5-hexanedione [ACD/IUPAC Name]
(3S,4S)-3,4-Diméthyl-2,5-hexanedione [French] [ACD/IUPAC Name]
2,5-Hexanedione, 3,4-dimethyl-, (3S,4S)- [ACD/Index Name]
28895-03-6 [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: 213.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 76.4±16.8 °C
Index of Refraction: 1.417
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 45.44
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 45.44
Polar Surface Area: 34 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 27.2±3.0 dyne/cm
Molar Volume: 155.6±3.0 cm3

Click to predict properties on the Chemicalize site


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