ChemSpider 2D Image | 5,5-Dimethyl-4-oxohexanoic acid | C8H14O3

5,5-Dimethyl-4-oxohexanoic acid

  • Molecular FormulaC8H14O3
  • Average mass158.195 Da
  • Monoisotopic mass158.094299 Da
  • ChemSpider ID21401732

More details:

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

5,5-Dimethyl-4-oxohexanoic acid [ACD/IUPAC Name]
5,5-Dimethyl-4-oxohexansäure [German] [ACD/IUPAC Name]
Acide 5,5-diméthyl-4-oxohexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 5,5-dimethyl-4-oxo- [ACD/Index Name]
[57965-24-9] [RN]
5,5-Dimethyl-4-oxo-hexanoic acid
57965-24-9 [RN]
97%
MFCD01320155 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 267.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.7±6.0 kJ/mol
Flash Point: 130.1±16.3 °C
Index of Refraction: 1.446
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.20
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 152.4±3.0 cm3

Click to predict properties on the Chemicalize site


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