ChemSpider 2D Image | 14-(4-Iodophenyl)-3-methyltetradecanoic acid | C21H33IO2

14-(4-Iodophenyl)-3-methyltetradecanoic acid

  • Molecular FormulaC21H33IO2
  • Average mass444.390 Da
  • Monoisotopic mass444.152527 Da
  • ChemSpider ID57494674

More details:

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

14-(4-Iodophenyl)-3-methyltetradecanoic acid [ACD/IUPAC Name]
14-(4-Iodphenyl)-3-methyltetradecansäure [German] [ACD/IUPAC Name]
Acide 14-(4-iodophényl)-3-méthyltétradécanoïque [French] [ACD/IUPAC Name]
Benzenetetradecanoic acid, 4-iodo-β-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 494.2±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.7±21.2 °C
Index of Refraction: 1.537
Molar Refractivity: 110.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 69340.84
ACD/KOC (pH 5.5): 60929.25
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 1116.77
ACD/KOC (pH 7.4): 981.29
Polar Surface Area: 37 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 353.9±3.0 cm3

Click to predict properties on the Chemicalize site


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