ChemSpider 2D Image | Methyl 4,4,4-trifluoro-3-hydroxy-2-butenoate | C5H5F3O3

Methyl 4,4,4-trifluoro-3-hydroxy-2-butenoate

  • Molecular FormulaC5H5F3O3
  • Average mass170.087 Da
  • Monoisotopic mass170.019073 Da
  • ChemSpider ID28673800

More details:

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

2-Butenoic acid, 4,4,4-trifluoro-3-hydroxy-, methyl ester [ACD/Index Name]
4,4,4-Trifluoro-3-hydroxy-2-buténoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4,4,4-trifluoro-3-hydroxy-2-butenoate [ACD/IUPAC Name]
Methyl-4,4,4-trifluor-3-hydroxy-2-butenoat [German] [ACD/IUPAC Name]
113341-46-1 [RN]
178380-97-7 [RN]
Methyl 4,4,4-trifluoro-3-hydroxybut-2-enoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 186.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.2±6.0 kJ/mol
Flash Point: 66.8±27.3 °C
Index of Refraction: 1.390
Molar Refractivity: 28.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.45
ACD/KOC (pH 5.5): 173.53
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 7.90
ACD/KOC (pH 7.4): 145.18
Polar Surface Area: 47 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 27.7±3.0 dyne/cm
Molar Volume: 121.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement