ChemSpider 2D Image | 7-[4-(2-Methyl-2-propanyl)phenyl]-7-oxoheptanoic acid | C17H24O3

7-[4-(2-Methyl-2-propanyl)phenyl]-7-oxoheptanoic acid

  • Molecular FormulaC17H24O3
  • Average mass276.371 Da
  • Monoisotopic mass276.172546 Da
  • ChemSpider ID21401799

More details:

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

7-[4-(2-Methyl-2-propanyl)phenyl]-7-oxoheptanoic acid [ACD/IUPAC Name]
7-[4-(2-Methyl-2-propanyl)phenyl]-7-oxoheptansäure [German] [ACD/IUPAC Name]
898791-45-2 [RN]
Acide 7-[4-(2-méthyl-2-propanyl)phényl]-7-oxoheptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 4-(1,1-dimethylethyl)-ζ-oxo- [ACD/Index Name]
7-(4-t-Butylphenyl)-7-oxoheptanoic acid
7-(4-tert-butylphenyl)-7-oxoheptanoic acid
MFCD02260964 [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: 442.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 235.7±23.3 °C
Index of Refraction: 1.512
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 103.38
ACD/KOC (pH 5.5): 559.44
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 8.91
Polar Surface Area: 54 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 264.8±3.0 cm3

Click to predict properties on the Chemicalize site


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