ChemSpider 2D Image | 8-[4-(2-Methyl-2-propanyl)phenyl]-8-oxooctanoic acid | C18H26O3

8-[4-(2-Methyl-2-propanyl)phenyl]-8-oxooctanoic acid

  • Molecular FormulaC18H26O3
  • Average mass290.397 Da
  • Monoisotopic mass290.188202 Da
  • ChemSpider ID21401800

More details:

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

8-[4-(2-Methyl-2-propanyl)phenyl]-8-oxooctanoic acid [ACD/IUPAC Name]
8-[4-(2-Methyl-2-propanyl)phenyl]-8-oxooctansäure [German] [ACD/IUPAC Name]
898791-47-4 [RN]
Acide 8-[4-(2-méthyl-2-propanyl)phényl]-8-oxooctanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 4-(1,1-dimethylethyl)-η-oxo- [ACD/Index Name]
8-(4-t-Butylphenyl)-8-oxooctanoic acid
8-(4-tert-butylphenyl)-8-oxooctanoic acid
MFCD02260965 [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: 454.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 242.8±23.3 °C
Index of Refraction: 1.509
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 208.80
ACD/KOC (pH 5.5): 937.69
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 15.00
Polar Surface Area: 54 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement