ChemSpider 2D Image | 8-(2,5-Dimethylphenyl)-8-oxooctanoic acid | C16H22O3

8-(2,5-Dimethylphenyl)-8-oxooctanoic acid

  • Molecular FormulaC16H22O3
  • Average mass262.344 Da
  • Monoisotopic mass262.156891 Da
  • ChemSpider ID21401622

More details:






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

8-(2,5-Dimethylphenyl)-8-oxooctanoic acid [ACD/IUPAC Name]
8-(2,5-Dimethylphenyl)-8-oxooctansäure [German] [ACD/IUPAC Name]
Acide 8-(2,5-diméthylphényl)-8-oxooctanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 2,5-dimethyl-η-oxo- [ACD/Index Name]
898788-01-7 [RN]
MFCD01320026 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 438.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 232.8±21.9 °C
Index of Refraction: 1.521
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 54.87
ACD/KOC (pH 5.5): 360.67
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.77
Polar Surface Area: 54 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 247.2±3.0 cm3

Click to predict properties on the Chemicalize site






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