ChemSpider 2D Image | (2E)-3-{2-(3-Oxopropyl)-4-[(trifluoromethyl)sulfanyl]phenyl}acrylic acid | C13H11F3O3S

(2E)-3-{2-(3-Oxopropyl)-4-[(trifluoromethyl)sulfanyl]phenyl}acrylic acid

  • Molecular FormulaC13H11F3O3S
  • Average mass304.285 Da
  • Monoisotopic mass304.038086 Da
  • ChemSpider ID57378394

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{2-(3-Oxopropyl)-4-[(trifluormethyl)sulfanyl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{2-(3-Oxopropyl)-4-[(trifluoromethyl)sulfanyl]phenyl}acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[2-(3-oxopropyl)-4-[(trifluoromethyl)thio]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{2-(3-oxopropyl)-4-[(trifluorométhyl)sulfanyl]phényl}acrylique [French] [ACD/IUPAC Name]
1807436-24-3 [RN]
2-(3-Oxopropyl)-4-(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: 356.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 169.1±27.9 °C
Index of Refraction: 1.547
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 6.23
ACD/KOC (pH 5.5): 56.34
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 218.9±5.0 cm3

Click to predict properties on the Chemicalize site


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