ChemSpider 2D Image | 7-Oxo-7-[4-(pentyloxy)phenyl]heptanoic acid | C18H26O4

7-Oxo-7-[4-(pentyloxy)phenyl]heptanoic acid

  • Molecular FormulaC18H26O4
  • Average mass306.397 Da
  • Monoisotopic mass306.183105 Da
  • ChemSpider ID21401824

More details:

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

7-Oxo-7-[4-(pentyloxy)phenyl]heptanoic acid [ACD/IUPAC Name]
7-Oxo-7-[4-(pentyloxy)phenyl]heptansäure [German] [ACD/IUPAC Name]
898792-03-5 [RN]
Acide 7-oxo-7-[4-(pentyloxy)phényl]heptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, ζ-oxo-4-(pentyloxy)- [ACD/Index Name]
7-oxo-7-(4-pentoxyphenyl)heptanoic acid
7-oxo-7-(4-pentyloxyphenyl)heptanoic acid
FS-6345
MFCD02261002 [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: 485.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 170.5±16.7 °C
Index of Refraction: 1.510
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 108.91
ACD/KOC (pH 5.5): 580.93
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 9.25
Polar Surface Area: 64 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 288.2±3.0 cm3

Click to predict properties on the Chemicalize site


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