ChemSpider 2D Image | 7-Oxo-7-(4-pentylphenyl)heptanoic acid | C18H26O3

7-Oxo-7-(4-pentylphenyl)heptanoic acid

  • Molecular FormulaC18H26O3
  • Average mass290.397 Da
  • Monoisotopic mass290.188202 Da
  • ChemSpider ID21401801

More details:

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

7-Oxo-7-(4-pentylphenyl)heptanoic acid [ACD/IUPAC Name]
7-Oxo-7-(4-pentylphenyl)heptansäure [German] [ACD/IUPAC Name]
898791-49-6 [RN]
Acide 7-oxo-7-(4-pentylphényl)heptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, ζ-oxo-4-pentyl- [ACD/Index Name]
7-oxo-7-(4-n-pentylphenyl)heptanoic acid
MFCD02260968 [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: 466.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 250.1±23.3 °C
Index of Refraction: 1.514
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 462.04
ACD/KOC (pH 5.5): 1633.53
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 7.36
ACD/KOC (pH 7.4): 26.01
Polar Surface Area: 54 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 280.5±3.0 cm3

Click to predict properties on the Chemicalize site


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