ChemSpider 2D Image | 7-[4-(Heptyloxy)phenyl]-7-oxoheptanoic acid | C20H30O4

7-[4-(Heptyloxy)phenyl]-7-oxoheptanoic acid

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID21401831

More details:

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

7-[4-(Heptyloxy)phenyl]-7-oxoheptanoic acid [ACD/IUPAC Name]
7-[4-(Heptyloxy)phenyl]-7-oxoheptansäure [German] [ACD/IUPAC Name]
898792-23-9 [RN]
Acide 7-[4-(heptyloxy)phényl]-7-oxoheptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 4-(heptyloxy)-ζ-oxo- [ACD/Index Name]
7-(4-heptoxyphenyl)-7-oxoheptanoic acid
7-(4-heptyloxyphenyl)-7-oxoheptanoic acid
MFCD02261010 [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: 506.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 173.3±18.1 °C
Index of Refraction: 1.506
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 936.86
ACD/KOC (pH 5.5): 2710.73
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 14.92
ACD/KOC (pH 7.4): 43.17
Polar Surface Area: 64 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 321.2±3.0 cm3

Click to predict properties on the Chemicalize site


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