ChemSpider 2D Image | 7-(4-Iodophenyl)-7-oxoheptanoic acid | C13H15IO3

7-(4-Iodophenyl)-7-oxoheptanoic acid

  • Molecular FormulaC13H15IO3
  • Average mass346.161 Da
  • Monoisotopic mass346.006592 Da
  • ChemSpider ID21401774

More details:

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

7-(4-Iodophenyl)-7-oxoheptanoic acid [ACD/IUPAC Name]
7-(4-Iodphenyl)-7-oxoheptansäure [German] [ACD/IUPAC Name]
Acide 7-(4-iodophényl)-7-oxoheptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 4-iodo-ζ-oxo- [ACD/Index Name]
49618-09-9 [RN]
97%
MFCD02260897 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 470.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.2±24.6 °C
Index of Refraction: 1.586
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 36.03
ACD/KOC (pH 5.5): 262.63
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.18
Polar Surface Area: 54 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 220.2±3.0 cm3

Click to predict properties on the Chemicalize site


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