ChemSpider 2D Image | 7-(3-Acetyl-6-hydroxy-2,4,5-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid | C24H29FO4

7-(3-Acetyl-6-hydroxy-2,4,5-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid

  • Molecular FormulaC24H29FO4
  • Average mass400.483 Da
  • Monoisotopic mass400.204987 Da
  • ChemSpider ID14244851

More details:

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

7-(3-Acetyl-6-hydroxy-2,4,5-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid [ACD/IUPAC Name]
7-(3-Acetyl-6-hydroxy-2,4,5-trimethylphenyl)-7-(4-fluorphenyl)heptansäure [German] [ACD/IUPAC Name]
Acide 7-(3-acétyl-6-hydroxy-2,4,5-triméthylphényl)-7-(4-fluorophényl)heptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 3-acetyl-ζ-(4-fluorophenyl)-6-hydroxy-2,4,5-trimethyl- [ACD/Index Name]
7-(3-Acetyl-6-hydroxy-2,4,5-trimethyl-phenyl)-7-(4-fluoro-phenyl)-heptanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.1±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1115.72
ACD/KOC (pH 5.5): 3116.25
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 17.04
ACD/KOC (pH 7.4): 47.59
Polar Surface Area: 75 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

Click to predict properties on the Chemicalize site


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