ChemSpider 2D Image | (2Z)-4,4,4-Trifluoro-3-(2-thienyl)-2-butenoic acid | C8H5F3O2S

(2Z)-4,4,4-Trifluoro-3-(2-thienyl)-2-butenoic acid

  • Molecular FormulaC8H5F3O2S
  • Average mass222.184 Da
  • Monoisotopic mass221.996231 Da
  • ChemSpider ID21521708

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4,4,4-Trifluor-3-(2-thienyl)-2-butensäure [German] [ACD/IUPAC Name]
(2Z)-4,4,4-Trifluoro-3-(2-thienyl)-2-butenoic acid [ACD/IUPAC Name]
2-Butenoic acid, 4,4,4-trifluoro-3-(2-thienyl)-, (2Z)- [ACD/Index Name]
Acide (2Z)-4,4,4-trifluoro-3-(2-thiényl)-2-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 304.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 138.2±27.9 °C
Index of Refraction: 1.520
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 150.8±3.0 cm3

Click to predict properties on the Chemicalize site


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