ChemSpider 2D Image | 1,1,1-Trifluoro-8-(4-heptylphenyl)-2-octanone | C21H31F3O

1,1,1-Trifluoro-8-(4-heptylphenyl)-2-octanone

  • Molecular FormulaC21H31F3O
  • Average mass356.465 Da
  • Monoisotopic mass356.232697 Da
  • ChemSpider ID23179648

More details:






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

1,1,1-Trifluor-8-(4-heptylphenyl)-2-octanon [German] [ACD/IUPAC Name]
1,1,1-Trifluoro-8-(4-heptylphenyl)-2-octanone [ACD/IUPAC Name]
1,1,1-Trifluoro-8-(4-heptylphényl)-2-octanone [French] [ACD/IUPAC Name]
1,1,1-trifluoro-8-(4-heptylphenyl)octan-2-one
2-Octanone, 1,1,1-trifluoro-8-(4-heptylphenyl)- [ACD/Index Name]
1,1,1-Trifluoro-8-(4-heptyl-phenyl)-octan-2-one
CHEMBL91077

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 422.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 284.2±20.2 °C
Index of Refraction: 1.465
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 8.10
ACD/BCF (pH 5.5): 848336.94
ACD/KOC (pH 5.5): 609871.38
ACD/LogD (pH 7.4): 8.10
ACD/BCF (pH 7.4): 848336.94
ACD/KOC (pH 7.4): 609871.38
Polar Surface Area: 17 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 350.2±3.0 cm3

Click to predict properties on the Chemicalize site






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