ChemSpider 2D Image | 1-(3,4,5-Trifluorophenyl)-1-hexanone | C12H13F3O

1-(3,4,5-Trifluorophenyl)-1-hexanone

  • Molecular FormulaC12H13F3O
  • Average mass230.226 Da
  • Monoisotopic mass230.091843 Da
  • ChemSpider ID35328293

More details:

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

1-(3,4,5-Trifluorophenyl)-1-hexanone [ACD/IUPAC Name]
1-(3,4,5-Trifluorophényl)-1-hexanone [French] [ACD/IUPAC Name]
1-(3,4,5-Trifluorphenyl)-1-hexanon [German] [ACD/IUPAC Name]
1-Hexanone, 1-(3,4,5-trifluorophenyl)- [ACD/Index Name]
1-(3,4,5-Trifluorophenyl)hexan-1-one
1251245-42-7 [RN]
atoms 16 bonds 16
MFCD16820130

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

Density: 1.2±0.1 g/cm3
Boiling Point: 280.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 139.8±17.4 °C
Index of Refraction: 1.461
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 556.06
ACD/KOC (pH 5.5): 3210.40
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 556.06
ACD/KOC (pH 7.4): 3210.40
Polar Surface Area: 17 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 199.6±3.0 cm3

Click to predict properties on the Chemicalize site


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