ChemSpider 2D Image | (2E)-4,4,4-Trifluoro-3-hydroxy-1-(3-nitrophenyl)-2-buten-1-one | C10H6F3NO4

(2E)-4,4,4-Trifluoro-3-hydroxy-1-(3-nitrophenyl)-2-buten-1-one

  • Molecular FormulaC10H6F3NO4
  • Average mass261.154 Da
  • Monoisotopic mass261.024902 Da
  • ChemSpider ID22823204

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4,4,4-Trifluor-3-hydroxy-1-(3-nitrophenyl)-2-buten-1-on [German] [ACD/IUPAC Name]
(2E)-4,4,4-Trifluoro-3-hydroxy-1-(3-nitrophenyl)-2-buten-1-one [ACD/IUPAC Name]
(2E)-4,4,4-Trifluoro-3-hydroxy-1-(3-nitrophényl)-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 4,4,4-trifluoro-3-hydroxy-1-(3-nitrophenyl)-, (2E)- [ACD/Index Name]
4,4,4-trifluoro-3-hydroxy-1-(3-nitrophenyl)-2-buten-1-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 369.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 177.4±27.9 °C
Index of Refraction: 1.536
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.58
ACD/KOC (pH 5.5): 466.27
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 31.44
ACD/KOC (pH 7.4): 390.09
Polar Surface Area: 83 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 173.1±3.0 cm3

Click to predict properties on the Chemicalize site


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