ChemSpider 2D Image | 8-(4-Hexylphenyl)-8-oxooctanoic acid | C20H30O3

8-(4-Hexylphenyl)-8-oxooctanoic acid

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21401805

More details:






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

8-(4-Hexylphenyl)-8-oxooctanoic acid [ACD/IUPAC Name]
8-(4-Hexylphenyl)-8-oxooctansäure [German] [ACD/IUPAC Name]
Acide 8-(4-hexylphényl)-8-oxooctanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 4-hexyl-η-oxo- [ACD/Index Name]
898791-57-6 [RN]
MFCD02260973 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 489.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 263.8±23.3 °C
Index of Refraction: 1.510
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 1866.62
ACD/KOC (pH 5.5): 4498.19
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 29.85
ACD/KOC (pH 7.4): 71.94
Polar Surface Area: 54 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 313.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement