ChemSpider 2D Image | 7-(Hexyloxy)-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one | C23H23F3O4

7-(Hexyloxy)-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one

  • Molecular FormulaC23H23F3O4
  • Average mass420.422 Da
  • Monoisotopic mass420.154846 Da
  • ChemSpider ID124433872

More details:

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

4H-1-Benzopyran-4-one, 7-(hexyloxy)-3-(4-methoxyphenyl)-2-(trifluoromethyl)- [ACD/Index Name]
7-(Hexyloxy)-3-(4-methoxyphenyl)-2-(trifluormethyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-(Hexyloxy)-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one [ACD/IUPAC Name]
7-(Hexyloxy)-3-(4-méthoxyphényl)-2-(trifluorométhyl)-4H-chromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 480.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 235.4±23.6 °C
Index of Refraction: 1.531
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 60611.58
ACD/KOC (pH 5.5): 92243.20
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 60611.58
ACD/KOC (pH 7.4): 92243.20
Polar Surface Area: 45 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 340.9±3.0 cm3

Click to predict properties on the Chemicalize site


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