ChemSpider 2D Image | (2E)-3-{2-(2-Oxopropyl)-3-[(trifluoromethyl)sulfanyl]phenyl}acrylic acid | C13H11F3O3S

(2E)-3-{2-(2-Oxopropyl)-3-[(trifluoromethyl)sulfanyl]phenyl}acrylic acid

  • Molecular FormulaC13H11F3O3S
  • Average mass304.285 Da
  • Monoisotopic mass304.038086 Da
  • ChemSpider ID57366580

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{2-(2-Oxopropyl)-3-[(trifluormethyl)sulfanyl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{2-(2-Oxopropyl)-3-[(trifluoromethyl)sulfanyl]phenyl}acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[2-(2-oxopropyl)-3-[(trifluoromethyl)thio]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{2-(2-oxopropyl)-3-[(trifluorométhyl)sulfanyl]phényl}acrylique [French] [ACD/IUPAC Name]
1807384-18-4 [RN]
2-(2-Oxopropyl)-3-(trifluoromethylthio)cinnamic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 345.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 162.9±27.9 °C
Index of Refraction: 1.545
Molar Refractivity: 69.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 27.01
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 218.8±5.0 cm3

Click to predict properties on the Chemicalize site


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