ChemSpider 2D Image | (2E)-4-(Trifluoromethoxy)-2-butenoic acid | C5H5F3O3

(2E)-4-(Trifluoromethoxy)-2-butenoic acid

  • Molecular FormulaC5H5F3O3
  • Average mass170.087 Da
  • Monoisotopic mass170.019073 Da
  • ChemSpider ID55932422

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-(Trifluormethoxy)-2-butensäure [German] [ACD/IUPAC Name]
(2E)-4-(Trifluoromethoxy)-2-butenoic acid [ACD/IUPAC Name]
2-Butenoic acid, 4-(trifluoromethoxy)-, (2E)- [ACD/Index Name]
Acide (2E)-4-(trifluorométhoxy)-2-buténoïque [French] [ACD/IUPAC Name]
1704183-19-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 196.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 47.7±6.0 kJ/mol
Flash Point: 72.7±27.3 °C
Index of Refraction: 1.392
Molar Refractivity: 29.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 122.1±3.0 cm3

Click to predict properties on the Chemicalize site


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