ChemSpider 2D Image | 1-(2,6-Dimethyl-4-propoxyphenyl)-2,2,2-trifluoroethanone | C13H15F3O2

1-(2,6-Dimethyl-4-propoxyphenyl)-2,2,2-trifluoroethanone

  • Molecular FormulaC13H15F3O2
  • Average mass260.252 Da
  • Monoisotopic mass260.102417 Da
  • ChemSpider ID35328056

More details:

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

1-(2,6-Dimethyl-4-propoxyphenyl)-2,2,2-trifluorethanon [German] [ACD/IUPAC Name]
1-(2,6-Dimethyl-4-propoxyphenyl)-2,2,2-trifluoroethanone [ACD/IUPAC Name]
1-(2,6-Diméthyl-4-propoxyphényl)-2,2,2-trifluoroéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(2,6-dimethyl-4-propoxyphenyl)-2,2,2-trifluoro- [ACD/Index Name]
1443344-21-5 [RN]
2',6'-Dimethyl-4'-n-propoxy-2,2,2-trifluoroacetophenone
atoms 18 bonds 18
MFCD18426956

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

Density: 1.1±0.1 g/cm3
Boiling Point: 314.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 139.4±21.4 °C
Index of Refraction: 1.462
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 569.18
ACD/KOC (pH 5.5): 3264.45
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 569.18
ACD/KOC (pH 7.4): 3264.45
Polar Surface Area: 26 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 226.9±3.0 cm3

Click to predict properties on the Chemicalize site


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