ChemSpider 2D Image | 6-Oxo-6-[4-(pentyloxy)phenyl]hexanoic acid | C17H24O4

6-Oxo-6-[4-(pentyloxy)phenyl]hexanoic acid

  • Molecular FormulaC17H24O4
  • Average mass292.370 Da
  • Monoisotopic mass292.167450 Da
  • ChemSpider ID21401823

More details:

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

6-Oxo-6-[4-(pentyloxy)phenyl]hexanoic acid [ACD/IUPAC Name]
6-Oxo-6-[4-(pentyloxy)phenyl]hexansäure [German] [ACD/IUPAC Name]
Acide 6-oxo-6-[4-(pentyloxy)phényl]hexanoïque [French] [ACD/IUPAC Name]
Benzenehexanoic acid, ε-oxo-4-(pentyloxy)- [ACD/Index Name]
6-oxo-6-(4-pentoxyphenyl)hexanoic acid
6-oxo-6-(4-pentyloxyphenyl)hexanoic acid
898792-00-2 [RN]
MFCD02261001 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 474.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 169.3±16.7 °C
Index of Refraction: 1.513
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 53.78
ACD/KOC (pH 5.5): 338.96
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.36
Polar Surface Area: 64 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 271.6±3.0 cm3

Click to predict properties on the Chemicalize site


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