ChemSpider 2D Image | (2E)-3-[5-(Trifluoromethyl)-3-thienyl]acrylic acid | C8H5F3O2S

(2E)-3-[5-(Trifluoromethyl)-3-thienyl]acrylic acid

  • Molecular FormulaC8H5F3O2S
  • Average mass222.184 Da
  • Monoisotopic mass221.996231 Da
  • ChemSpider ID62015341

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[5-(Trifluormethyl)-3-thienyl]acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-[5-(Trifluoromethyl)-3-thienyl]acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[5-(trifluoromethyl)-3-thienyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[5-(trifluorométhyl)-3-thiényl]acrylique [French] [ACD/IUPAC Name]
(2E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoic acid
2044946-97-4 [RN]
MFCD30476481

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

Density: 1.5±0.1 g/cm3
Boiling Point: 299.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 135.0±25.9 °C
Index of Refraction: 1.549
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 2.11
ACD/KOC (pH 5.5): 24.86
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 148.0±3.0 cm3

Click to predict properties on the Chemicalize site


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