ChemSpider 2D Image | 3,7,7-Trimethyl-4-octanone | C11H22O

3,7,7-Trimethyl-4-octanone

  • Molecular FormulaC11H22O
  • Average mass170.292 Da
  • Monoisotopic mass170.167068 Da
  • ChemSpider ID43715645

More details:






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

3,7,7-Trimethyl-4-octanon [German] [ACD/IUPAC Name]
3,7,7-Trimethyl-4-octanone [ACD/IUPAC Name]
3,7,7-Triméthyl-4-octanone [French] [ACD/IUPAC Name]
4-Octanone, 3,7,7-trimethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 200.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.7±3.0 kJ/mol
Flash Point: 55.6±12.1 °C
Index of Refraction: 1.424
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.04
ACD/KOC (pH 5.5): 1571.86
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.04
ACD/KOC (pH 7.4): 1571.86
Polar Surface Area: 17 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 25.7±3.0 dyne/cm
Molar Volume: 207.7±3.0 cm3

Click to predict properties on the Chemicalize site






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