ChemSpider 2D Image | (4S)-2,4-Dimethyl-3-hexanone | C8H16O

(4S)-2,4-Dimethyl-3-hexanone

  • Molecular FormulaC8H16O
  • Average mass128.212 Da
  • Monoisotopic mass128.120117 Da
  • ChemSpider ID21427957

More details:






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

(4S)-2,4-Dimethyl-3-hexanone [ACD/IUPAC Name]
(4S)-2,4-Dimethyl-3-hexanon [German] [ACD/IUPAC Name]
(4S)-2,4-Diméthyl-3-hexanone [French] [ACD/IUPAC Name]
2,4-Dimethyl-3-hexanon [German] [ACD/IUPAC Name]
2,4-Dimethyl-3-hexanone [ACD/IUPAC Name]
2,4-Diméthyl-3-hexanone [French] [ACD/IUPAC Name]
3-Hexanone, 2,4-dimethyl- [ACD/Index Name]
3-Hexanone, 2,4-dimethyl-, (4S)- [ACD/Index Name]
18641-70-8 [RN]
27763-93-5 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 149.6±8.0 °C at 760 mmHg
Vapour Pressure: 4.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.7±3.0 kJ/mol
Flash Point: 34.2±12.1 °C
Index of Refraction: 1.408
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.36
ACD/KOC (pH 5.5): 290.21
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.36
ACD/KOC (pH 7.4): 290.21
Polar Surface Area: 17 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 23.9±3.0 dyne/cm
Molar Volume: 158.5±3.0 cm3

Click to predict properties on the Chemicalize site






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